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Showing metabocard for Stallimycin (HMDB0251483)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 08:50:38 UTC
Update Date2021-09-26 23:03:30 UTC
HMDB IDHMDB0251483
Secondary Accession NumbersNone
Metabolite Identification
Common NameStallimycin
Descriptiondistamycin a, also known as stallimycin, belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group. distamycin a is a very strong basic compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Stallimycin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Stallimycin is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0251483 (Stallimycin)


  Mrv0541 05041402512D          

 35 37  0  0  0  0            999 V2000
  -10.7565    4.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308    1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7204    1.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5278    6.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8113    2.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7524    3.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8335    6.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9509    1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6456    2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2376    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815    6.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3634    2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5594    3.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0577    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6140    5.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3399    3.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0009    5.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5194    3.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0251483 (Stallimycin)

HMDB0251483
     RDKit          3D
Stallimycin
 62 64  0  0  0  0  0  0  0  0999 V2000
   -4.3086   -4.0399   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -2.7280   -0.1655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -2.4558   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7337    0.8584   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630    1.5952   -0.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942    1.4019   -1.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    0.6382   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523    1.4146   -1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    0.9809   -1.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883    1.8658   -1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    3.1118   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6870    1.5102   -1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    2.4869   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8996    1.8971   -0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2162    2.4517   -0.6556 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3328    3.5716    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150    4.1532    0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6508    0.5378   -0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    0.3356   -1.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7137   -0.9829   -1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406    2.6537   -1.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9861    2.5856   -1.4856 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    3.7144   -1.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1608   -0.6911    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1567   -1.6819    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4640   -1.4964    1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4805   -0.7015    2.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6226   -2.0609    0.7076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9489   -2.2285    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5849   -0.5544    3.4478 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4594   -4.7879   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5209    3.5560   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073    3.9928    0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840    3.6838    1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4233   -0.2201   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9579   -1.1771   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2991   -1.1901   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325    3.4996   -1.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7793    3.4423   -2.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6157    4.5545   -2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969    0.2886    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3447   -2.6684   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9881    0.2566    3.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6354   -0.4508    3.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  2  0
  6  8  1  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
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 32 33  1  0
 33 34  2  3
 33 35  1  0
 27  2  1  0
 24  8  1  0
 21 14  1  0
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  1 37  1  0
  1 38  1  0
  3 39  1  0
  5 40  1  0
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 31 56  1  0
 31 57  1  0
 32 58  1  0
 32 59  1  0
 34 60  1  0
 35 61  1  0
 35 62  1  0
M  END
Download

3D SDF for HMDB0251483 (Stallimycin)


  Mrv0541 05041402512D          

 35 37  0  0  0  0            999 V2000
  -10.7565    4.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308    1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7204    1.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5278    6.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8113    2.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7524    3.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8335    6.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9509    1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6456    2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2376    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2815    6.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3634    2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5594    3.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0577    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6140    5.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3399    3.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3432    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0009    5.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5194    3.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    3.8528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287    2.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4530    7.6809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1838    2.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1725    4.3589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4210    5.5464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1439    1.7948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8919    2.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4091    8.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3432    3.8528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2163    5.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0345    3.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  2  0  0  0  0
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 15  8  1  0  0  0  0
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 16  7  2  0  0  0  0
 17  6  2  0  0  0  0
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 19  4  1  0  0  0  0
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 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
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 25  5  1  0  0  0  0
 25 20  1  0  0  0  0
 26 12  2  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 27 22  1  0  0  0  0
 28 15  1  0  0  0  0
 28 21  1  0  0  0  0
 29  1  1  0  0  0  0
 29  9  1  0  0  0  0
 29 17  1  0  0  0  0
 30  2  1  0  0  0  0
 30 10  1  0  0  0  0
 30 16  1  0  0  0  0
 31  3  1  0  0  0  0
 31 11  1  0  0  0  0
 31 18  1  0  0  0  0
 12 32  1  4  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 22  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0251483

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N=CO)=CN2C)C=C1C(=O)NCCC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)

> <INCHI_KEY>
UPBAOYRENQEPJO-UHFFFAOYSA-N

> <FORMULA>
C22H27N9O4

> <MOLECULAR_WEIGHT>
481.5077

> <EXACT_MASS>
481.218600397

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
52.16345616777524

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(5-{[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carboximidic acid

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
-1.8516082427721126

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.666152806642028

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.91006762251091

> <JCHEM_PKA_STRONGEST_BASIC>
12.172348884494985

> <JCHEM_POLAR_SURFACE_AREA>
184.54999999999998

> <JCHEM_REFRACTIVITY>
146.02700000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.85e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(5-{[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methylpyrrol-3-yl}carbamoyl)-1-methylpyrrol-3-yl]carbamoyl}-1-methylpyrrol-3-yl)carboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0251483 (Stallimycin)

HMDB0251483
     RDKit          3D
Stallimycin
 62 64  0  0  0  0  0  0  0  0999 V2000
   -4.3086   -4.0399   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -2.7280   -0.1655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -2.4558   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869   -1.1422   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -0.5094   -0.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337    0.8584   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630    1.5952   -0.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942    1.4019   -1.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    0.6382   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523    1.4146   -1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    0.9809   -1.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883    1.8658   -1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    3.1118   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6870    1.5102   -1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    2.4869   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8996    1.8971   -0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2162    2.4517   -0.6556 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3328    3.5716    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150    4.1532    0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6508    0.5378   -0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    0.3356   -1.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7137   -0.9829   -1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406    2.6537   -1.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9861    2.5856   -1.4856 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    3.7144   -1.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1608   -0.6911    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1567   -1.6819    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4640   -1.4964    1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4805   -0.7015    2.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6226   -2.0609    0.7076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9489   -2.2285    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3634   -2.8060    2.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0521   -1.9035    3.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3023   -2.2922    4.3254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5849   -0.5544    3.4478 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4594   -4.7879   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9608   -4.2770    0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7244   -4.0760   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668   -3.0723   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291   -1.1251   -0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488   -0.3662   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3712   -0.0274   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5209    3.5560   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073    3.9928    0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840    3.6838    1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4233   -0.2201   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740   -1.7250   -0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9579   -1.1771   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2991   -1.1901   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325    3.4996   -1.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3025    4.0998   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793    3.4423   -2.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6157    4.5545   -2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969    0.2886    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3447   -2.6684   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5385   -1.2139    0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5199   -2.8513    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8121   -3.7702    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4449   -3.0241    2.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8542   -3.1721    4.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9881    0.2566    3.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6354   -0.4508    3.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 16 20  2  0
 20 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 24 25  1  0
  4 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  3
 33 35  1  0
 27  2  1  0
 24  8  1  0
 21 14  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  5 40  1  0
  9 41  1  0
 11 42  1  0
 15 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 22 47  1  0
 22 48  1  0
 22 49  1  0
 23 50  1  0
 25 51  1  0
 25 52  1  0
 25 53  1  0
 26 54  1  0
 30 55  1  0
 31 56  1  0
 31 57  1  0
 32 58  1  0
 32 59  1  0
 34 60  1  0
 35 61  1  0
 35 62  1  0
M  END
Download

PDB for HMDB0251483 (Stallimycin)

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   32  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1   29                                                            
CONECT    2   30                                                            
CONECT    3   31                                                            
CONECT    4    5   19                                                       
CONECT    5    4   25                                                       
CONECT    6   13   17                                                       
CONECT    7   14   16                                                       
CONECT    8   15   18                                                       
CONECT    9   13   29                                                       
CONECT   10   14   30                                                       
CONECT   11   15   31                                                       
CONECT   12   26   32                                                       
CONECT   13    6    9   26                                                  
CONECT   14    7   10   27                                                  
CONECT   15    8   11   28                                                  
CONECT   16    7   20   30                                                  
CONECT   17    6   21   29                                                  
CONECT   18    8   22   31                                                  
CONECT   19    4   23   24                                                  
CONECT   20   16   25   33                                                  
CONECT   21   17   28   34                                                  
CONECT   22   18   27   35                                                  
CONECT   23   19                                                            
CONECT   24   19                                                            
CONECT   25    5   20                                                       
CONECT   26   12   13                                                       
CONECT   27   14   22                                                       
CONECT   28   15   21                                                       
CONECT   29    1    9   17                                                  
CONECT   30    2   10   16                                                  
CONECT   31    3   11   18                                                  
CONECT   32   12                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END
Download

3D PDB for HMDB0251483 (Stallimycin)

COMPND    HMDB0251483
HETATM    1  C1  UNL     1      -4.309  -4.040  -0.315  1.00  0.00           C  
HETATM    2  N1  UNL     1      -3.637  -2.728  -0.165  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.421  -2.456  -0.644  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.087  -1.142  -0.270  1.00  0.00           C  
HETATM    5  N2  UNL     1      -0.853  -0.509  -0.569  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.734   0.858  -0.785  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.763   1.595  -0.723  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.594   1.402  -1.083  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.758   0.638  -0.968  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.852   1.415  -1.316  1.00  0.00           C  
HETATM   11  N3  UNL     1       4.207   0.981  -1.280  1.00  0.00           N  
HETATM   12  C8  UNL     1       5.288   1.866  -1.085  1.00  0.00           C  
HETATM   13  O2  UNL     1       4.964   3.112  -0.956  1.00  0.00           O  
HETATM   14  C9  UNL     1       6.687   1.510  -1.009  1.00  0.00           C  
HETATM   15  C10 UNL     1       7.684   2.487  -0.874  1.00  0.00           C  
HETATM   16  C11 UNL     1       8.900   1.897  -0.796  1.00  0.00           C  
HETATM   17  N4  UNL     1      10.216   2.452  -0.656  1.00  0.00           N  
HETATM   18  C12 UNL     1      10.333   3.572   0.027  1.00  0.00           C  
HETATM   19  O3  UNL     1       9.215   4.153   0.561  1.00  0.00           O  
HETATM   20  C13 UNL     1       8.651   0.538  -0.885  1.00  0.00           C  
HETATM   21  N5  UNL     1       7.314   0.336  -1.009  1.00  0.00           N  
HETATM   22  C14 UNL     1       6.714  -0.983  -1.114  1.00  0.00           C  
HETATM   23  C15 UNL     1       2.341   2.654  -1.648  1.00  0.00           C  
HETATM   24  N6  UNL     1       0.986   2.586  -1.486  1.00  0.00           N  
HETATM   25  C16 UNL     1       0.101   3.714  -1.755  1.00  0.00           C  
HETATM   26  C17 UNL     1      -3.161  -0.691   0.409  1.00  0.00           C  
HETATM   27  C18 UNL     1      -4.157  -1.682   0.483  1.00  0.00           C  
HETATM   28  C19 UNL     1      -5.464  -1.496   1.099  1.00  0.00           C  
HETATM   29  O4  UNL     1      -5.481  -0.702   2.125  1.00  0.00           O  
HETATM   30  N7  UNL     1      -6.623  -2.061   0.708  1.00  0.00           N  
HETATM   31  C20 UNL     1      -7.949  -2.228   0.909  1.00  0.00           C  
HETATM   32  C21 UNL     1      -8.363  -2.806   2.263  1.00  0.00           C  
HETATM   33  C22 UNL     1      -8.052  -1.903   3.365  1.00  0.00           C  
HETATM   34  N8  UNL     1      -7.302  -2.292   4.325  1.00  0.00           N  
HETATM   35  N9  UNL     1      -8.585  -0.554   3.448  1.00  0.00           N  
HETATM   36  H1  UNL     1      -3.459  -4.788  -0.285  1.00  0.00           H  
HETATM   37  H2  UNL     1      -4.961  -4.277   0.524  1.00  0.00           H  
HETATM   38  H3  UNL     1      -4.724  -4.076  -1.326  1.00  0.00           H  
HETATM   39  H4  UNL     1      -1.767  -3.072  -1.180  1.00  0.00           H  
HETATM   40  H5  UNL     1       0.029  -1.125  -0.634  1.00  0.00           H  
HETATM   41  H6  UNL     1       1.849  -0.366  -0.674  1.00  0.00           H  
HETATM   42  H7  UNL     1       4.371  -0.027  -1.432  1.00  0.00           H  
HETATM   43  H8  UNL     1       7.521   3.556  -0.840  1.00  0.00           H  
HETATM   44  H9  UNL     1      11.307   3.993   0.153  1.00  0.00           H  
HETATM   45  H10 UNL     1       8.684   3.684   1.264  1.00  0.00           H  
HETATM   46  H11 UNL     1       9.423  -0.220  -0.847  1.00  0.00           H  
HETATM   47  H12 UNL     1       7.574  -1.725  -0.908  1.00  0.00           H  
HETATM   48  H13 UNL     1       5.958  -1.177  -0.346  1.00  0.00           H  
HETATM   49  H14 UNL     1       6.299  -1.190  -2.101  1.00  0.00           H  
HETATM   50  H15 UNL     1       2.932   3.500  -1.970  1.00  0.00           H  
HETATM   51  H16 UNL     1      -0.303   4.100  -0.796  1.00  0.00           H  
HETATM   52  H17 UNL     1      -0.779   3.442  -2.389  1.00  0.00           H  
HETATM   53  H18 UNL     1       0.616   4.555  -2.260  1.00  0.00           H  
HETATM   54  H19 UNL     1      -3.297   0.289   0.865  1.00  0.00           H  
HETATM   55  H20 UNL     1      -6.345  -2.668  -0.294  1.00  0.00           H  
HETATM   56  H21 UNL     1      -8.538  -1.214   0.902  1.00  0.00           H  
HETATM   57  H22 UNL     1      -8.520  -2.851   0.169  1.00  0.00           H  
HETATM   58  H23 UNL     1      -7.812  -3.770   2.409  1.00  0.00           H  
HETATM   59  H24 UNL     1      -9.445  -3.024   2.249  1.00  0.00           H  
HETATM   60  H25 UNL     1      -6.854  -3.172   4.472  1.00  0.00           H  
HETATM   61  H26 UNL     1      -7.988   0.257   3.636  1.00  0.00           H  
HETATM   62  H27 UNL     1      -9.635  -0.451   3.309  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3   27
CONECT    3    4    4   39
CONECT    4    5   26
CONECT    5    6   40
CONECT    6    7    7    8
CONECT    8    9    9   24
CONECT    9   10   41
CONECT   10   11   23   23
CONECT   11   12   42
CONECT   12   13   13   14
CONECT   14   15   15   21
CONECT   15   16   43
CONECT   16   17   20   20
CONECT   17   18   18
CONECT   18   19   44
CONECT   19   45
CONECT   20   21   46
CONECT   21   22
CONECT   22   47   48   49
CONECT   23   24   50
CONECT   24   25
CONECT   25   51   52   53
CONECT   26   27   27   54
CONECT   27   28
CONECT   28   29   29   30
CONECT   30   31   55
CONECT   31   32   56   57
CONECT   32   33   58   59
CONECT   33   34   34   35
CONECT   34   60
CONECT   35   61   62
END
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SMILES for HMDB0251483 (Stallimycin)

CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N=CO)=CN2C)C=C1C(=O)NCCC(N)=N
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INCHI for HMDB0251483 (Stallimycin)

InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
DistamycinMeSH
StallimycinMeSH
Stallimycin monohydrochlorideMeSH
DISTAMYCIN aChEMBL
N-(5-{[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carboximidateGenerator
Chemical FormulaC22H27N9O4
Average Molecular Weight481.5077
Monoisotopic Molecular Weight481.218600397
IUPAC NameN-(5-{[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carboximidic acid
Traditional NameN-(5-{[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methylpyrrol-3-yl}carbamoyl)-1-methylpyrrol-3-yl]carbamoyl}-1-methylpyrrol-3-yl)carboximidic acid
CAS Registry NumberNot Available
SMILES
CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N=CO)=CN2C)C=C1C(=O)NCCC(N)=N
InChI Identifier
InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
InChI KeyUPBAOYRENQEPJO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassN-arylamides
Direct ParentN-arylamides
Alternative Parents
Substituents
  • 2-heteroaryl carboxamide
  • Pyrrole-2-carboxamide
  • Pyrrole-2-carboxylic acid or derivatives
  • N-arylamide
  • N-methylpyrrole
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amidine
  • Carboxylic acid amidine
  • Carboxylic acid derivative
  • Azacycle
  • Organoheterocyclic compound
  • Carboximidamide
  • Organopnictogen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.68ALOGPS
logP-1.9ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)6.91ChemAxon
pKa (Strongest Basic)12.17ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area184.55 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity146.03 m³·mol⁻¹ChemAxon
Polarizability52.16 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+211.00330932474
DeepCCS[M-H]-208.60730932474
DeepCCS[M-2H]-241.53130932474
DeepCCS[M+Na]+217.04230932474
AllCCS[M+H]+213.732859911
AllCCS[M+H-H2O]+212.032859911
AllCCS[M+NH4]+215.332859911
AllCCS[M+Na]+215.732859911
AllCCS[M-H]-205.632859911
AllCCS[M+Na-2H]-206.832859911
AllCCS[M+HCOO]-208.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
StallimycinCN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N=CO)=CN2C)C=C1C(=O)NCCC(N)=N5262.8Standard polar33892256
StallimycinCN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N=CO)=CN2C)C=C1C(=O)NCCC(N)=N4731.9Standard non polar33892256
StallimycinCN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CN3C)N=CO)=CN2C)C=C1C(=O)NCCC(N)=N4871.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Stallimycin,2TMS,isomer #1CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4967.9Semi standard non polar33892256
Stallimycin,2TMS,isomer #1CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4453.8Standard non polar33892256
Stallimycin,2TMS,isomer #1CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C7569.5Standard polar33892256
Stallimycin,2TMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C5126.1Semi standard non polar33892256
Stallimycin,2TMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4635.2Standard non polar33892256
Stallimycin,2TMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C7569.1Standard polar33892256
Stallimycin,2TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N4594.9Semi standard non polar33892256
Stallimycin,2TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N4053.8Standard non polar33892256
Stallimycin,2TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N7815.5Standard polar33892256
Stallimycin,2TMS,isomer #12CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14672.6Semi standard non polar33892256
Stallimycin,2TMS,isomer #12CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14133.1Standard non polar33892256
Stallimycin,2TMS,isomer #12CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)[Si](C)(C)C)=C17936.9Standard polar33892256
Stallimycin,2TMS,isomer #13CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4771.9Semi standard non polar33892256
Stallimycin,2TMS,isomer #13CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4297.1Standard non polar33892256
Stallimycin,2TMS,isomer #13CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C7698.4Standard polar33892256
Stallimycin,2TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C14677.6Semi standard non polar33892256
Stallimycin,2TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C14205.8Standard non polar33892256
Stallimycin,2TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C17947.0Standard polar33892256
Stallimycin,2TMS,isomer #15CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4780.8Semi standard non polar33892256
Stallimycin,2TMS,isomer #15CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4318.5Standard non polar33892256
Stallimycin,2TMS,isomer #15CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C7672.8Standard polar33892256
Stallimycin,2TMS,isomer #16CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14833.5Semi standard non polar33892256
Stallimycin,2TMS,isomer #16CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14418.6Standard non polar33892256
Stallimycin,2TMS,isomer #16CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)=C17787.2Standard polar33892256
Stallimycin,2TMS,isomer #2CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N4654.1Semi standard non polar33892256
Stallimycin,2TMS,isomer #2CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N4107.6Standard non polar33892256
Stallimycin,2TMS,isomer #2CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N7955.9Standard polar33892256
Stallimycin,2TMS,isomer #3CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N4670.3Semi standard non polar33892256
Stallimycin,2TMS,isomer #3CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N4129.0Standard non polar33892256
Stallimycin,2TMS,isomer #3CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N7928.5Standard polar33892256
Stallimycin,2TMS,isomer #4CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)=C14763.6Semi standard non polar33892256
Stallimycin,2TMS,isomer #4CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)=C14221.6Standard non polar33892256
Stallimycin,2TMS,isomer #4CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)=C18045.9Standard polar33892256
Stallimycin,2TMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4836.2Semi standard non polar33892256
Stallimycin,2TMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4344.4Standard non polar33892256
Stallimycin,2TMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C7746.8Standard polar33892256
Stallimycin,2TMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4853.1Semi standard non polar33892256
Stallimycin,2TMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4391.4Standard non polar33892256
Stallimycin,2TMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C7531.7Standard polar33892256
Stallimycin,2TMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4877.3Semi standard non polar33892256
Stallimycin,2TMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4409.3Standard non polar33892256
Stallimycin,2TMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C7499.3Standard polar33892256
Stallimycin,2TMS,isomer #8CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14950.3Semi standard non polar33892256
Stallimycin,2TMS,isomer #8CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14524.6Standard non polar33892256
Stallimycin,2TMS,isomer #8CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C17669.9Standard polar33892256
Stallimycin,2TMS,isomer #9CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4900.2Semi standard non polar33892256
Stallimycin,2TMS,isomer #9CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4581.7Standard non polar33892256
Stallimycin,2TMS,isomer #9CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C7477.8Standard polar33892256
Stallimycin,3TMS,isomer #1CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4759.9Semi standard non polar33892256
Stallimycin,3TMS,isomer #1CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4169.9Standard non polar33892256
Stallimycin,3TMS,isomer #1CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C6941.1Standard polar33892256
Stallimycin,3TMS,isomer #10CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4674.2Semi standard non polar33892256
Stallimycin,3TMS,isomer #10CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4096.4Standard non polar33892256
Stallimycin,3TMS,isomer #10CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C7257.8Standard polar33892256
Stallimycin,3TMS,isomer #11CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14726.3Semi standard non polar33892256
Stallimycin,3TMS,isomer #11CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14186.3Standard non polar33892256
Stallimycin,3TMS,isomer #11CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)=C17371.9Standard polar33892256
Stallimycin,3TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4675.1Semi standard non polar33892256
Stallimycin,3TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4110.7Standard non polar33892256
Stallimycin,3TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C6799.7Standard polar33892256
Stallimycin,3TMS,isomer #13CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14761.5Semi standard non polar33892256
Stallimycin,3TMS,isomer #13CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14190.0Standard non polar33892256
Stallimycin,3TMS,isomer #13CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16957.5Standard polar33892256
Stallimycin,3TMS,isomer #14CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4733.1Semi standard non polar33892256
Stallimycin,3TMS,isomer #14CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4290.3Standard non polar33892256
Stallimycin,3TMS,isomer #14CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C6853.2Standard polar33892256
Stallimycin,3TMS,isomer #15CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4904.5Semi standard non polar33892256
Stallimycin,3TMS,isomer #15CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4409.6Standard non polar33892256
Stallimycin,3TMS,isomer #15CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C6912.2Standard polar33892256
Stallimycin,3TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C14769.3Semi standard non polar33892256
Stallimycin,3TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C14265.6Standard non polar33892256
Stallimycin,3TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C16974.9Standard polar33892256
Stallimycin,3TMS,isomer #17CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4747.5Semi standard non polar33892256
Stallimycin,3TMS,isomer #17CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4317.2Standard non polar33892256
Stallimycin,3TMS,isomer #17CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C6825.8Standard polar33892256
Stallimycin,3TMS,isomer #18CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4910.9Semi standard non polar33892256
Stallimycin,3TMS,isomer #18CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4426.7Standard non polar33892256
Stallimycin,3TMS,isomer #18CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C6886.1Standard polar33892256
Stallimycin,3TMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14811.6Semi standard non polar33892256
Stallimycin,3TMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14439.3Standard non polar33892256
Stallimycin,3TMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C16992.6Standard polar33892256
Stallimycin,3TMS,isomer #2CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4781.9Semi standard non polar33892256
Stallimycin,3TMS,isomer #2CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4191.3Standard non polar33892256
Stallimycin,3TMS,isomer #2CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C6913.3Standard polar33892256
Stallimycin,3TMS,isomer #20CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14986.8Semi standard non polar33892256
Stallimycin,3TMS,isomer #20CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14519.2Standard non polar33892256
Stallimycin,3TMS,isomer #20CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C17048.8Standard polar33892256
Stallimycin,3TMS,isomer #21CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4957.6Semi standard non polar33892256
Stallimycin,3TMS,isomer #21CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4474.2Standard non polar33892256
Stallimycin,3TMS,isomer #21CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C6876.7Standard polar33892256
Stallimycin,3TMS,isomer #22CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C4497.6Semi standard non polar33892256
Stallimycin,3TMS,isomer #22CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C3885.5Standard non polar33892256
Stallimycin,3TMS,isomer #22CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C7278.5Standard polar33892256
Stallimycin,3TMS,isomer #23CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4596.4Semi standard non polar33892256
Stallimycin,3TMS,isomer #23CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4037.0Standard non polar33892256
Stallimycin,3TMS,isomer #23CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C7152.3Standard polar33892256
Stallimycin,3TMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14679.9Semi standard non polar33892256
Stallimycin,3TMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14112.0Standard non polar33892256
Stallimycin,3TMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C17266.0Standard polar33892256
Stallimycin,3TMS,isomer #25CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C14688.0Semi standard non polar33892256
Stallimycin,3TMS,isomer #25CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C14184.5Standard non polar33892256
Stallimycin,3TMS,isomer #25CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C17276.8Standard polar33892256
Stallimycin,3TMS,isomer #3CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14856.7Semi standard non polar33892256
Stallimycin,3TMS,isomer #3CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14299.0Standard non polar33892256
Stallimycin,3TMS,isomer #3CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C17070.1Standard polar33892256
Stallimycin,3TMS,isomer #4CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4799.3Semi standard non polar33892256
Stallimycin,3TMS,isomer #4CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4369.7Standard non polar33892256
Stallimycin,3TMS,isomer #4CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C6905.5Standard polar33892256
Stallimycin,3TMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4952.2Semi standard non polar33892256
Stallimycin,3TMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4460.1Standard non polar33892256
Stallimycin,3TMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C6947.5Standard polar33892256
Stallimycin,3TMS,isomer #6CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N4498.8Semi standard non polar33892256
Stallimycin,3TMS,isomer #6CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N3828.0Standard non polar33892256
Stallimycin,3TMS,isomer #6CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N7326.9Standard polar33892256
Stallimycin,3TMS,isomer #7CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14601.0Semi standard non polar33892256
Stallimycin,3TMS,isomer #7CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)[Si](C)(C)C)=C13902.3Standard non polar33892256
Stallimycin,3TMS,isomer #7CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C2)[Si](C)(C)C)=C17441.2Standard polar33892256
Stallimycin,3TMS,isomer #8CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4664.5Semi standard non polar33892256
Stallimycin,3TMS,isomer #8CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4068.3Standard non polar33892256
Stallimycin,3TMS,isomer #8CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C7279.0Standard polar33892256
Stallimycin,3TMS,isomer #9CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C14604.0Semi standard non polar33892256
Stallimycin,3TMS,isomer #9CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C13973.9Standard non polar33892256
Stallimycin,3TMS,isomer #9CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C)=C17453.9Standard polar33892256
Stallimycin,4TMS,isomer #1CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C4609.3Semi standard non polar33892256
Stallimycin,4TMS,isomer #1CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C3892.2Standard non polar33892256
Stallimycin,4TMS,isomer #1CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C6351.4Standard polar33892256
Stallimycin,4TMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4824.8Semi standard non polar33892256
Stallimycin,4TMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4201.4Standard non polar33892256
Stallimycin,4TMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C6405.3Standard polar33892256
Stallimycin,4TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C4444.6Semi standard non polar33892256
Stallimycin,4TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C3691.6Standard non polar33892256
Stallimycin,4TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C6901.0Standard polar33892256
Stallimycin,4TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C4496.7Semi standard non polar33892256
Stallimycin,4TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C3825.3Standard non polar33892256
Stallimycin,4TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C6825.6Standard polar33892256
Stallimycin,4TMS,isomer #13CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14589.5Semi standard non polar33892256
Stallimycin,4TMS,isomer #13CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C13878.2Standard non polar33892256
Stallimycin,4TMS,isomer #13CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16935.1Standard polar33892256
Stallimycin,4TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C14598.6Semi standard non polar33892256
Stallimycin,4TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C13943.0Standard non polar33892256
Stallimycin,4TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C)=C16949.1Standard polar33892256
Stallimycin,4TMS,isomer #15CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C4591.7Semi standard non polar33892256
Stallimycin,4TMS,isomer #15CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C3948.9Standard non polar33892256
Stallimycin,4TMS,isomer #15CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C6361.0Standard polar33892256
Stallimycin,4TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4577.9Semi standard non polar33892256
Stallimycin,4TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4021.5Standard non polar33892256
Stallimycin,4TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C6286.8Standard polar33892256
Stallimycin,4TMS,isomer #17CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4694.7Semi standard non polar33892256
Stallimycin,4TMS,isomer #17CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4146.0Standard non polar33892256
Stallimycin,4TMS,isomer #17CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C6329.6Standard polar33892256
Stallimycin,4TMS,isomer #18CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14658.6Semi standard non polar33892256
Stallimycin,4TMS,isomer #18CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14087.5Standard non polar33892256
Stallimycin,4TMS,isomer #18CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16434.7Standard polar33892256
Stallimycin,4TMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14779.0Semi standard non polar33892256
Stallimycin,4TMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14198.7Standard non polar33892256
Stallimycin,4TMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16477.5Standard polar33892256
Stallimycin,4TMS,isomer #2CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14708.8Semi standard non polar33892256
Stallimycin,4TMS,isomer #2CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C13955.9Standard non polar33892256
Stallimycin,4TMS,isomer #2CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16495.8Standard polar33892256
Stallimycin,4TMS,isomer #20CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4794.3Semi standard non polar33892256
Stallimycin,4TMS,isomer #20CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4192.3Standard non polar33892256
Stallimycin,4TMS,isomer #20CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C6354.5Standard polar33892256
Stallimycin,4TMS,isomer #21CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C14670.2Semi standard non polar33892256
Stallimycin,4TMS,isomer #21CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C14158.0Standard non polar33892256
Stallimycin,4TMS,isomer #21CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C16454.3Standard polar33892256
Stallimycin,4TMS,isomer #22CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C14796.5Semi standard non polar33892256
Stallimycin,4TMS,isomer #22CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C14264.4Standard non polar33892256
Stallimycin,4TMS,isomer #22CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C16496.9Standard polar33892256
Stallimycin,4TMS,isomer #23CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4787.5Semi standard non polar33892256
Stallimycin,4TMS,isomer #23CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4221.7Standard non polar33892256
Stallimycin,4TMS,isomer #23CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C6330.2Standard polar33892256
Stallimycin,4TMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14880.5Semi standard non polar33892256
Stallimycin,4TMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14291.4Standard non polar33892256
Stallimycin,4TMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C16483.0Standard polar33892256
Stallimycin,4TMS,isomer #25CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C4515.3Semi standard non polar33892256
Stallimycin,4TMS,isomer #25CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C3900.7Standard non polar33892256
Stallimycin,4TMS,isomer #25CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C6803.7Standard polar33892256
Stallimycin,4TMS,isomer #3CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4645.5Semi standard non polar33892256
Stallimycin,4TMS,isomer #3CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4041.9Standard non polar33892256
Stallimycin,4TMS,isomer #3CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C6407.0Standard polar33892256
Stallimycin,4TMS,isomer #4CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4767.8Semi standard non polar33892256
Stallimycin,4TMS,isomer #4CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4170.2Standard non polar33892256
Stallimycin,4TMS,isomer #4CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C6444.1Standard polar33892256
Stallimycin,4TMS,isomer #5CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C14717.5Semi standard non polar33892256
Stallimycin,4TMS,isomer #5CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C14024.1Standard non polar33892256
Stallimycin,4TMS,isomer #5CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C)=C16517.3Standard polar33892256
Stallimycin,4TMS,isomer #6CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4649.1Semi standard non polar33892256
Stallimycin,4TMS,isomer #6CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4070.3Standard non polar33892256
Stallimycin,4TMS,isomer #6CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C6383.5Standard polar33892256
Stallimycin,4TMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4765.2Semi standard non polar33892256
Stallimycin,4TMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4187.7Standard non polar33892256
Stallimycin,4TMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C6421.6Standard polar33892256
Stallimycin,4TMS,isomer #8CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14720.1Semi standard non polar33892256
Stallimycin,4TMS,isomer #8CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C14162.4Standard non polar33892256
Stallimycin,4TMS,isomer #8CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)=C16531.8Standard polar33892256
Stallimycin,4TMS,isomer #9CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14858.3Semi standard non polar33892256
Stallimycin,4TMS,isomer #9CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14266.2Standard non polar33892256
Stallimycin,4TMS,isomer #9CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C16567.7Standard polar33892256
Stallimycin,5TMS,isomer #1CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C4535.3Semi standard non polar33892256
Stallimycin,5TMS,isomer #1CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C3759.0Standard non polar33892256
Stallimycin,5TMS,isomer #1CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N[Si](C)(C)C)[Si](C)(C)C5939.4Standard polar33892256
Stallimycin,5TMS,isomer #10CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14770.2Semi standard non polar33892256
Stallimycin,5TMS,isomer #10CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C14038.6Standard non polar33892256
Stallimycin,5TMS,isomer #10CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)=C16067.3Standard polar33892256
Stallimycin,5TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C4435.3Semi standard non polar33892256
Stallimycin,5TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C3718.4Standard non polar33892256
Stallimycin,5TMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(N)=N[Si](C)(C)C)[Si](C)(C)C6515.5Standard polar33892256
Stallimycin,5TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C4490.3Semi standard non polar33892256
Stallimycin,5TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C3895.4Standard non polar33892256
Stallimycin,5TMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C5895.3Standard polar33892256
Stallimycin,5TMS,isomer #13CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4599.7Semi standard non polar33892256
Stallimycin,5TMS,isomer #13CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4005.0Standard non polar33892256
Stallimycin,5TMS,isomer #13CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5942.2Standard polar33892256
Stallimycin,5TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4617.8Semi standard non polar33892256
Stallimycin,5TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4003.9Standard non polar33892256
Stallimycin,5TMS,isomer #14CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5819.8Standard polar33892256
Stallimycin,5TMS,isomer #15CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14707.0Semi standard non polar33892256
Stallimycin,5TMS,isomer #15CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14035.3Standard non polar33892256
Stallimycin,5TMS,isomer #15CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C15964.8Standard polar33892256
Stallimycin,5TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C14722.8Semi standard non polar33892256
Stallimycin,5TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C14086.7Standard non polar33892256
Stallimycin,5TMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C15985.7Standard polar33892256
Stallimycin,5TMS,isomer #2CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C4477.1Semi standard non polar33892256
Stallimycin,5TMS,isomer #2CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C3818.2Standard non polar33892256
Stallimycin,5TMS,isomer #2CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N[Si](C)(C)C5876.2Standard polar33892256
Stallimycin,5TMS,isomer #3CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C4605.3Semi standard non polar33892256
Stallimycin,5TMS,isomer #3CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C3945.8Standard non polar33892256
Stallimycin,5TMS,isomer #3CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C)[Si](C)(C)C5917.8Standard polar33892256
Stallimycin,5TMS,isomer #4CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14570.3Semi standard non polar33892256
Stallimycin,5TMS,isomer #4CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C13862.8Standard non polar33892256
Stallimycin,5TMS,isomer #4CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16018.9Standard polar33892256
Stallimycin,5TMS,isomer #5CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C14694.2Semi standard non polar33892256
Stallimycin,5TMS,isomer #5CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C13980.6Standard non polar33892256
Stallimycin,5TMS,isomer #5CN1C=C(N=CO[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C2)[Si](C)(C)C)=C16059.8Standard polar33892256
Stallimycin,5TMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4674.4Semi standard non polar33892256
Stallimycin,5TMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3964.1Standard non polar33892256
Stallimycin,5TMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)=CN2C)[Si](C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5940.7Standard polar33892256
Stallimycin,5TMS,isomer #7CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C14578.9Semi standard non polar33892256
Stallimycin,5TMS,isomer #7CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C13919.3Standard non polar33892256
Stallimycin,5TMS,isomer #7CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)=C16040.7Standard polar33892256
Stallimycin,5TMS,isomer #8CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C14709.3Semi standard non polar33892256
Stallimycin,5TMS,isomer #8CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C14031.6Standard non polar33892256
Stallimycin,5TMS,isomer #8CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C)=CN2C)[Si](C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=C16082.0Standard polar33892256
Stallimycin,5TMS,isomer #9CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4661.8Semi standard non polar33892256
Stallimycin,5TMS,isomer #9CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3990.8Standard non polar33892256
Stallimycin,5TMS,isomer #9CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C)=CN3C)[Si](C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5918.0Standard polar33892256
Stallimycin,2TBDMS,isomer #1CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C5436.5Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #1CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C4636.6Standard non polar33892256
Stallimycin,2TBDMS,isomer #1CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C7129.3Standard polar33892256
Stallimycin,2TBDMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5534.8Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4907.6Standard non polar33892256
Stallimycin,2TBDMS,isomer #10CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C7130.7Standard polar33892256
Stallimycin,2TBDMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N5056.4Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N4302.1Standard non polar33892256
Stallimycin,2TBDMS,isomer #11CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N7403.2Standard polar33892256
Stallimycin,2TBDMS,isomer #12CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C15144.9Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #12CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C14403.9Standard non polar33892256
Stallimycin,2TBDMS,isomer #12CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C17536.5Standard polar33892256
Stallimycin,2TBDMS,isomer #13CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C5277.7Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #13CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C4529.9Standard non polar33892256
Stallimycin,2TBDMS,isomer #13CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C7364.3Standard polar33892256
Stallimycin,2TBDMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C15158.8Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C14472.0Standard non polar33892256
Stallimycin,2TBDMS,isomer #14CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C17547.8Standard polar33892256
Stallimycin,2TBDMS,isomer #15CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C5279.9Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #15CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C4555.0Standard non polar33892256
Stallimycin,2TBDMS,isomer #15CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C7345.8Standard polar33892256
Stallimycin,2TBDMS,isomer #16CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C15358.6Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #16CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C14658.0Standard non polar33892256
Stallimycin,2TBDMS,isomer #16CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C17473.5Standard polar33892256
Stallimycin,2TBDMS,isomer #2CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N5117.4Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #2CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N4306.6Standard non polar33892256
Stallimycin,2TBDMS,isomer #2CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N7603.2Standard polar33892256
Stallimycin,2TBDMS,isomer #3CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N5141.7Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #3CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N4328.6Standard non polar33892256
Stallimycin,2TBDMS,isomer #3CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N7582.3Standard polar33892256
Stallimycin,2TBDMS,isomer #4CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)=C15214.7Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #4CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)=C14423.3Standard non polar33892256
Stallimycin,2TBDMS,isomer #4CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)=C17715.5Standard polar33892256
Stallimycin,2TBDMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C5364.9Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C4513.8Standard non polar33892256
Stallimycin,2TBDMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C7478.3Standard polar33892256
Stallimycin,2TBDMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C5315.1Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C4636.1Standard non polar33892256
Stallimycin,2TBDMS,isomer #6CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C7039.5Standard polar33892256
Stallimycin,2TBDMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C5340.5Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C4653.8Standard non polar33892256
Stallimycin,2TBDMS,isomer #7CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C7016.0Standard polar33892256
Stallimycin,2TBDMS,isomer #8CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C15423.8Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #8CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C14770.4Standard non polar33892256
Stallimycin,2TBDMS,isomer #8CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C17177.2Standard polar33892256
Stallimycin,2TBDMS,isomer #9CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5408.5Semi standard non polar33892256
Stallimycin,2TBDMS,isomer #9CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4828.8Standard non polar33892256
Stallimycin,2TBDMS,isomer #9CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C7021.5Standard polar33892256
Stallimycin,3TBDMS,isomer #1CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C5375.7Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #1CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C4427.1Standard non polar33892256
Stallimycin,3TBDMS,isomer #1CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C6577.2Standard polar33892256
Stallimycin,3TBDMS,isomer #10CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C5326.6Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #10CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C4340.2Standard non polar33892256
Stallimycin,3TBDMS,isomer #10CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C7001.0Standard polar33892256
Stallimycin,3TBDMS,isomer #11CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C15403.6Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #11CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C14423.1Standard non polar33892256
Stallimycin,3TBDMS,isomer #11CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C17120.8Standard polar33892256
Stallimycin,3TBDMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C5300.9Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C4444.5Standard non polar33892256
Stallimycin,3TBDMS,isomer #12CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C6422.1Standard polar33892256
Stallimycin,3TBDMS,isomer #13CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C15393.0Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #13CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C14530.1Standard non polar33892256
Stallimycin,3TBDMS,isomer #13CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C16566.0Standard polar33892256
Stallimycin,3TBDMS,isomer #14CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5372.5Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #14CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4603.2Standard non polar33892256
Stallimycin,3TBDMS,isomer #14CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C6505.7Standard polar33892256
Stallimycin,3TBDMS,isomer #15CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5503.5Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #15CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4751.5Standard non polar33892256
Stallimycin,3TBDMS,isomer #15CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6552.7Standard polar33892256
Stallimycin,3TBDMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C15397.0Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C14599.2Standard non polar33892256
Stallimycin,3TBDMS,isomer #16CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C16584.5Standard polar33892256
Stallimycin,3TBDMS,isomer #17CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5373.9Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #17CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4635.2Standard non polar33892256
Stallimycin,3TBDMS,isomer #17CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C6485.3Standard polar33892256
Stallimycin,3TBDMS,isomer #18CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5504.3Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #18CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4772.2Standard non polar33892256
Stallimycin,3TBDMS,isomer #18CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6532.4Standard polar33892256
Stallimycin,3TBDMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C15447.5Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C14730.5Standard non polar33892256
Stallimycin,3TBDMS,isomer #19CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C16632.0Standard polar33892256
Stallimycin,3TBDMS,isomer #2CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C5382.6Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #2CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C4445.8Standard non polar33892256
Stallimycin,3TBDMS,isomer #2CN1C=C(NC(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)C=C1C(=O)NCCC(=N)N[Si](C)(C)C(C)(C)C6556.5Standard polar33892256
Stallimycin,3TBDMS,isomer #20CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C15588.8Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #20CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C14868.6Standard non polar33892256
Stallimycin,3TBDMS,isomer #20CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C16675.5Standard polar33892256
Stallimycin,3TBDMS,isomer #21CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5570.6Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #21CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4820.3Standard non polar33892256
Stallimycin,3TBDMS,isomer #21CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6543.6Standard polar33892256
Stallimycin,3TBDMS,isomer #22CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C5129.5Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #22CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C4242.0Standard non polar33892256
Stallimycin,3TBDMS,isomer #22CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C6933.9Standard polar33892256
Stallimycin,3TBDMS,isomer #23CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C5256.1Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #23CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C4355.9Standard non polar33892256
Stallimycin,3TBDMS,isomer #23CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C6880.0Standard polar33892256
Stallimycin,3TBDMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C15351.9Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C14437.2Standard non polar33892256
Stallimycin,3TBDMS,isomer #24CN1C=C(N=CO)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C16997.0Standard polar33892256
Stallimycin,3TBDMS,isomer #25CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C15355.6Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #25CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C14504.7Standard non polar33892256
Stallimycin,3TBDMS,isomer #25CN1C=C(N(C(=O)C2=CC(N=CO)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C17007.8Standard polar33892256
Stallimycin,3TBDMS,isomer #3CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C15462.8Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #3CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C14534.1Standard non polar33892256
Stallimycin,3TBDMS,isomer #3CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)NC2=CN(C)C(C(=O)N(CCC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)=C16702.3Standard polar33892256
Stallimycin,3TBDMS,isomer #4CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5429.7Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #4CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4567.5Standard non polar33892256
Stallimycin,3TBDMS,isomer #4CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C6588.2Standard polar33892256
Stallimycin,3TBDMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5554.2Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4731.1Standard non polar33892256
Stallimycin,3TBDMS,isomer #5CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)C=C1C(=O)NCCC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C6648.7Standard polar33892256
Stallimycin,3TBDMS,isomer #6CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N5107.0Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #6CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N4121.4Standard non polar33892256
Stallimycin,3TBDMS,isomer #6CN1C=C(N(C(=O)C2=CC(N(C(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(=N)N6974.5Standard polar33892256
Stallimycin,3TBDMS,isomer #7CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C15209.5Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #7CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C14187.4Standard non polar33892256
Stallimycin,3TBDMS,isomer #7CN1C=C(N=CO[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(C2=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C2)[Si](C)(C)C(C)(C)C)=C17097.0Standard polar33892256
Stallimycin,3TBDMS,isomer #8CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C5323.2Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #8CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C4317.1Standard non polar33892256
Stallimycin,3TBDMS,isomer #8CN1C=C(N(C(=O)C2=CC(NC(=O)C3=CC(N=CO[Si](C)(C)C(C)(C)C)=CN3C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NCCC(N)=N[Si](C)(C)C(C)(C)C7017.2Standard polar33892256
Stallimycin,3TBDMS,isomer #9CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C15219.7Semi standard non polar33892256
Stallimycin,3TBDMS,isomer #9CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C14249.9Standard non polar33892256
Stallimycin,3TBDMS,isomer #9CN1C=C(N(C(=O)C2=CC(N=CO[Si](C)(C)C(C)(C)C)=CN2C)[Si](C)(C)C(C)(C)C)C=C1C(=O)NC1=CN(C)C(C(=O)N(CCC(=N)N)[Si](C)(C)C(C)(C)C)=C17110.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-3555900000-d7d303f8ec7029e505122021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TBDMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Stallimycin GC-MS (TBDMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 10V, Positive-QTOFsplash10-0uk9-1222900000-28368bac383b7bbb662e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 20V, Positive-QTOFsplash10-00di-6954500000-84d62a402450e5a0dd0d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 40V, Positive-QTOFsplash10-00di-9851000000-738a671d05add33741922016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 10V, Negative-QTOFsplash10-003r-5011900000-e0c19d40202d1be3b3c02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 20V, Negative-QTOFsplash10-0khj-6344900000-e9c2636335749dc685682016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 40V, Negative-QTOFsplash10-00dm-9742000000-913615bbbd6d0dc273042016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 10V, Positive-QTOFsplash10-0f89-0000900000-ffe06e6a51bb2e0b7e4e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 20V, Positive-QTOFsplash10-0udi-1101900000-542595ddcda1a96b478b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 40V, Positive-QTOFsplash10-00rt-9522200000-2c9c6376b320d9d21d3a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 10V, Negative-QTOFsplash10-001i-0001900000-f3fca59f05c08ef3e3f62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 20V, Negative-QTOFsplash10-00di-2245900000-e7a85cbc2f35d22332ba2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Stallimycin 40V, Negative-QTOFsplash10-006x-9613200000-de196d37f6d2a96f7b152021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3115
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]