Hmdb loader

Showing metabocard for Eriojaposide B (HMDB0038029)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:18:39 UTC
Update Date2022-03-07 02:55:36 UTC
HMDB IDHMDB0038029
Secondary Accession Numbers
  • HMDB38029
Metabolite Identification
Common NameEriojaposide B
DescriptionEriojaposide B belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on Eriojaposide B.
Structure
Data?1563863129
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038029 (Eriojaposide B)


  Mrv0541 02241208562D          

 36 38  0  0  0  0            999 V2000
   -3.5723   -2.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2873   -3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -2.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -2.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1436   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
M  END
Download

3D MOL for HMDB0038029 (Eriojaposide B)

HMDB0038029
     RDKit          3D
Eriojaposide B
 76 78  0  0  0  0  0  0  0  0999 V2000
   -2.6093   -2.7103   -0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9051   -2.7415    2.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 76  1  0
M  END
Download

3D SDF for HMDB0038029 (Eriojaposide B)


  Mrv0541 02241208562D          

 36 38  0  0  0  0            999 V2000
   -3.5723   -2.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038029

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+

> <INCHI_KEY>
AFWVBXLXFDAISA-VOTSOKGWSA-N

> <FORMULA>
C25H40O11

> <MOLECULAR_WEIGHT>
516.5785

> <EXACT_MASS>
516.257062122

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
54.127304284520775

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one

> <ALOGPS_LOGP>
-0.32

> <JCHEM_LOGP>
-0.2282774446666677

> <ALOGPS_LOGS>
-2.44

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.444119409728227

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.917191897889241

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121823516836606

> <JCHEM_POLAR_SURFACE_AREA>
175.37

> <JCHEM_REFRACTIVITY>
126.98999999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.89e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0038029 (Eriojaposide B)

HMDB0038029
     RDKit          3D
Eriojaposide B
 76 78  0  0  0  0  0  0  0  0999 V2000
   -2.6093   -2.7103   -0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5774   -2.3373    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487   -3.1971    1.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9051   -2.7415    2.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7740   -3.5650    2.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8650   -1.3465    2.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2508   -0.4212    1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0305    0.8787    1.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460   -0.0609    1.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1469   -0.9767    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2644   -0.0950   -0.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7456    0.5245   -1.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9332    1.4131   -2.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    2.2241   -3.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882    2.1662   -1.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7457    2.0190   -2.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    1.6324   -1.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911    1.2555   -1.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    0.4391   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    0.0552   -0.5880 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784   -0.6908    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.8785   -0.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7376   -2.7181    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7213   -3.5040    1.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7592   -2.0571    1.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803   -2.8383    2.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966   -0.6763    2.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5466   -0.0563    2.6303 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.0802    0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974    1.3900    1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686    2.5127   -1.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823    2.1443   -1.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267    3.1683   -2.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460    4.3547   -3.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433    3.3582   -2.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7316    3.7054   -3.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -3.4727   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1324   -3.0565   -1.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9895   -1.8355   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5588   -4.2056    1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9282   -0.9891    2.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338   -1.2540    3.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6874    1.5090    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9152    1.4726    2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1121    0.6502    1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -0.9143    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9566    0.1218    3.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475    0.8035    1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1665   -1.0418   -0.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.0224   -0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8063    0.3479   -2.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3107    0.8050   -3.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815    1.5399   -3.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3692    3.0130   -2.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    2.6121   -4.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112    1.3136   -2.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249    0.6690   -2.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    1.0542    0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749   -0.4378   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -0.8390    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3110   -3.4834    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741   -2.9146    1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4993   -4.4607    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690   -3.6072    2.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7254   -1.9884    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8672   -3.2700    2.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785   -0.6309    2.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499   -0.0415    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6465    0.0057    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128    1.5133    2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    3.2303   -0.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3106    1.6649   -2.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370    2.4912   -3.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    4.7583   -2.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437    4.1380   -1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2811    3.2564   -4.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 10  2  1  0
 35 16  1  0
 29 21  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 12 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 14 55  1  0
 16 56  1  0
 18 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 24 64  1  0
 25 65  1  0
 26 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
 36 76  1  0
M  END
Download

PDB for HMDB0038029 (Eriojaposide B)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.668  -4.623   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.334  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -6.930   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -8.003  -6.930   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.001  -4.623   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  -3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.332  -4.623   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.332  -4.623   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667  -3.850   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667  -2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.001  -1.543   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001   0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.334   0.767   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.001  -6.160   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.001  -4.623   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.334  -3.850   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.334  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.671  -1.543   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -6.324  -2.672   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.334  -3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.345  -2.672   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.671  -4.623   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.334   2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.001   3.080   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.001   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.334   5.388   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.671   4.620   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.671   3.080   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.003   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.003   5.388   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.334   6.930   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.669   5.390   0.000  0.00  0.00           C+0
CONECT    1    2   24                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4                                                            
CONECT    6    2                                                            
CONECT    7    4    8   24                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   27                                                       
CONECT   18   19                                                            
CONECT   19   13   18   20                                                  
CONECT   20   19   21   26                                                  
CONECT   21   15   20   22                                                  
CONECT   22   21                                                            
CONECT   23   24                                                            
CONECT   24    1    7   23   25                                             
CONECT   25   24                                                            
CONECT   26   20                                                            
CONECT   27   17   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   36                                                  
CONECT   30   29   31   35                                                  
CONECT   31   30   32   34                                                  
CONECT   32   27   31   33                                                  
CONECT   33   32                                                            
CONECT   34   31                                                            
CONECT   35   30                                                            
CONECT   36   29                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END
Download

3D PDB for HMDB0038029 (Eriojaposide B)

COMPND    HMDB0038029
HETATM    1  C1  UNL     1      -2.609  -2.710  -0.982  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.577  -2.337   0.069  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.949  -3.197   1.010  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.905  -2.742   2.001  1.00  0.00           C  
HETATM    5  O1  UNL     1      -5.774  -3.565   2.451  1.00  0.00           O  
HETATM    6  C5  UNL     1      -4.865  -1.346   2.473  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.251  -0.421   1.483  1.00  0.00           C  
HETATM    8  C7  UNL     1      -5.030   0.879   1.417  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.846  -0.061   1.988  1.00  0.00           C  
HETATM   10  C9  UNL     1      -4.147  -0.977   0.080  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.264  -0.095  -0.733  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.746   0.524  -1.794  1.00  0.00           C  
HETATM   13  C12 UNL     1      -2.933   1.413  -2.647  1.00  0.00           C  
HETATM   14  C13 UNL     1      -3.864   2.224  -3.516  1.00  0.00           C  
HETATM   15  O2  UNL     1      -2.088   2.166  -1.888  1.00  0.00           O  
HETATM   16  C14 UNL     1      -0.746   2.019  -2.167  1.00  0.00           C  
HETATM   17  O3  UNL     1      -0.092   1.632  -1.006  1.00  0.00           O  
HETATM   18  C15 UNL     1       1.191   1.255  -1.353  1.00  0.00           C  
HETATM   19  C16 UNL     1       1.802   0.439  -0.245  1.00  0.00           C  
HETATM   20  O4  UNL     1       3.101   0.055  -0.588  1.00  0.00           O  
HETATM   21  C17 UNL     1       3.678  -0.691   0.406  1.00  0.00           C  
HETATM   22  O5  UNL     1       4.142  -1.878  -0.100  1.00  0.00           O  
HETATM   23  C18 UNL     1       4.738  -2.718   0.803  1.00  0.00           C  
HETATM   24  C19 UNL     1       3.721  -3.504   1.605  1.00  0.00           C  
HETATM   25  C20 UNL     1       5.759  -2.057   1.690  1.00  0.00           C  
HETATM   26  O6  UNL     1       5.980  -2.838   2.813  1.00  0.00           O  
HETATM   27  C21 UNL     1       5.397  -0.676   2.114  1.00  0.00           C  
HETATM   28  O7  UNL     1       6.547  -0.056   2.630  1.00  0.00           O  
HETATM   29  C22 UNL     1       4.913   0.080   0.897  1.00  0.00           C  
HETATM   30  O8  UNL     1       4.597   1.390   1.158  1.00  0.00           O  
HETATM   31  C23 UNL     1       1.969   2.513  -1.657  1.00  0.00           C  
HETATM   32  O9  UNL     1       3.282   2.144  -1.932  1.00  0.00           O  
HETATM   33  C24 UNL     1       1.327   3.168  -2.862  1.00  0.00           C  
HETATM   34  O10 UNL     1       1.946   4.355  -3.172  1.00  0.00           O  
HETATM   35  C25 UNL     1      -0.143   3.358  -2.598  1.00  0.00           C  
HETATM   36  O11 UNL     1      -0.732   3.705  -3.823  1.00  0.00           O  
HETATM   37  H1  UNL     1      -1.877  -3.473  -0.641  1.00  0.00           H  
HETATM   38  H2  UNL     1      -3.132  -3.057  -1.914  1.00  0.00           H  
HETATM   39  H3  UNL     1      -1.989  -1.835  -1.313  1.00  0.00           H  
HETATM   40  H4  UNL     1      -3.559  -4.206   1.045  1.00  0.00           H  
HETATM   41  H5  UNL     1      -5.928  -0.989   2.638  1.00  0.00           H  
HETATM   42  H6  UNL     1      -4.334  -1.254   3.456  1.00  0.00           H  
HETATM   43  H7  UNL     1      -4.687   1.509   0.572  1.00  0.00           H  
HETATM   44  H8  UNL     1      -4.915   1.473   2.357  1.00  0.00           H  
HETATM   45  H9  UNL     1      -6.112   0.650   1.212  1.00  0.00           H  
HETATM   46  H10 UNL     1      -2.169  -0.914   1.861  1.00  0.00           H  
HETATM   47  H11 UNL     1      -2.957   0.122   3.078  1.00  0.00           H  
HETATM   48  H12 UNL     1      -2.447   0.803   1.443  1.00  0.00           H  
HETATM   49  H13 UNL     1      -5.166  -1.042  -0.354  1.00  0.00           H  
HETATM   50  H14 UNL     1      -2.233   0.022  -0.436  1.00  0.00           H  
HETATM   51  H15 UNL     1      -4.806   0.348  -2.024  1.00  0.00           H  
HETATM   52  H16 UNL     1      -2.311   0.805  -3.362  1.00  0.00           H  
HETATM   53  H17 UNL     1      -4.681   1.540  -3.833  1.00  0.00           H  
HETATM   54  H18 UNL     1      -4.369   3.013  -2.899  1.00  0.00           H  
HETATM   55  H19 UNL     1      -3.392   2.612  -4.419  1.00  0.00           H  
HETATM   56  H20 UNL     1      -0.511   1.314  -2.962  1.00  0.00           H  
HETATM   57  H21 UNL     1       1.125   0.669  -2.287  1.00  0.00           H  
HETATM   58  H22 UNL     1       1.889   1.054   0.672  1.00  0.00           H  
HETATM   59  H23 UNL     1       1.175  -0.438  -0.075  1.00  0.00           H  
HETATM   60  H24 UNL     1       2.999  -0.839   1.279  1.00  0.00           H  
HETATM   61  H25 UNL     1       5.311  -3.483   0.199  1.00  0.00           H  
HETATM   62  H26 UNL     1       2.774  -2.915   1.584  1.00  0.00           H  
HETATM   63  H27 UNL     1       3.499  -4.461   1.112  1.00  0.00           H  
HETATM   64  H28 UNL     1       4.069  -3.607   2.652  1.00  0.00           H  
HETATM   65  H29 UNL     1       6.725  -1.988   1.124  1.00  0.00           H  
HETATM   66  H30 UNL     1       6.867  -3.270   2.785  1.00  0.00           H  
HETATM   67  H31 UNL     1       4.579  -0.631   2.861  1.00  0.00           H  
HETATM   68  H32 UNL     1       7.250  -0.041   1.935  1.00  0.00           H  
HETATM   69  H33 UNL     1       5.647   0.006   0.072  1.00  0.00           H  
HETATM   70  H34 UNL     1       4.613   1.513   2.142  1.00  0.00           H  
HETATM   71  H35 UNL     1       1.962   3.230  -0.817  1.00  0.00           H  
HETATM   72  H36 UNL     1       3.311   1.665  -2.782  1.00  0.00           H  
HETATM   73  H37 UNL     1       1.437   2.491  -3.736  1.00  0.00           H  
HETATM   74  H38 UNL     1       2.444   4.758  -2.422  1.00  0.00           H  
HETATM   75  H39 UNL     1      -0.344   4.138  -1.846  1.00  0.00           H  
HETATM   76  H40 UNL     1      -0.281   3.256  -4.560  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3   10
CONECT    3    4   40
CONECT    4    5    5    6
CONECT    6    7   41   42
CONECT    7    8    9   10
CONECT    8   43   44   45
CONECT    9   46   47   48
CONECT   10   11   49
CONECT   11   12   12   50
CONECT   12   13   51
CONECT   13   14   15   52
CONECT   14   53   54   55
CONECT   15   16
CONECT   16   17   35   56
CONECT   17   18
CONECT   18   19   31   57
CONECT   19   20   58   59
CONECT   20   21
CONECT   21   22   29   60
CONECT   22   23
CONECT   23   24   25   61
CONECT   24   62   63   64
CONECT   25   26   27   65
CONECT   26   66
CONECT   27   28   29   67
CONECT   28   68
CONECT   29   30   69
CONECT   30   70
CONECT   31   32   33   71
CONECT   32   72
CONECT   33   34   35   73
CONECT   34   74
CONECT   35   36   75
CONECT   36   76
END
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SMILES for HMDB0038029 (Eriojaposide B)

CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C
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INCHI for HMDB0038029 (Eriojaposide B)

InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(6R,9R)-3-oxo-alpha-Ionyl-9-O-alpha-rhamnopyranosyl-(1''-6')-beta-glucopyranosideMeSH
Chemical FormulaC25H40O11
Average Molecular Weight516.5785
Monoisotopic Molecular Weight516.257062122
IUPAC Name3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one
Traditional Name3,5,5-trimethyl-4-[(1E)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]but-1-en-1-yl]cyclohex-2-en-1-one
CAS Registry Number351412-97-0
SMILES
CC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C
InChI Identifier
InChI=1S/C25H40O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-8,12-13,15-24,27-32H,9-10H2,1-5H3/b7-6+
InChI KeyAFWVBXLXFDAISA-VOTSOKGWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Cyclofarsesane sesquiterpenoid
  • Megastigmane sesquiterpenoid
  • Sesquiterpenoid
  • Ionone derivative
  • Alkyl glycoside
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Cyclohexenone
  • Oxane
  • Ketone
  • Cyclic ketone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Polyol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility144 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.89 g/LALOGPS
logP-0.32ALOGPS
logP-0.23ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)11.92ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area175.37 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity126.99 m³·mol⁻¹ChemAxon
Polarizability54.13 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+218.92731661259
DarkChem[M-H]-214.27731661259
DeepCCS[M+H]+217.26330932474
DeepCCS[M-H]-214.86730932474
DeepCCS[M-2H]-247.75130932474
DeepCCS[M+Na]+223.17530932474
AllCCS[M+H]+225.732859911
AllCCS[M+H-H2O]+224.232859911
AllCCS[M+NH4]+227.132859911
AllCCS[M+Na]+227.532859911
AllCCS[M-H]-214.132859911
AllCCS[M+Na-2H]-216.232859911
AllCCS[M+HCOO]-218.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Eriojaposide BCC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C5187.9Standard polar33892256
Eriojaposide BCC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C3665.4Standard non polar33892256
Eriojaposide BCC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C3933.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Eriojaposide B,1TMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3926.8Semi standard non polar33892256
Eriojaposide B,1TMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3887.5Semi standard non polar33892256
Eriojaposide B,1TMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3896.0Semi standard non polar33892256
Eriojaposide B,1TMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3932.7Semi standard non polar33892256
Eriojaposide B,1TMS,isomer #5CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3911.3Semi standard non polar33892256
Eriojaposide B,1TMS,isomer #6CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3921.0Semi standard non polar33892256
Eriojaposide B,1TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O3866.3Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3812.8Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #10CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3806.9Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #11CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3749.4Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #12CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3848.7Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #13CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3800.1Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #14CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3830.2Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3790.4Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #16CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3851.6Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #17CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3855.7Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3820.6Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #19CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3858.7Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3815.9Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3766.7Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3815.8Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3874.2Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3833.7Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #5CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3857.6Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3808.4Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #7CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3836.9Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #8CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3826.5Semi standard non polar33892256
Eriojaposide B,2TMS,isomer #9CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3791.2Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3713.5Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #10CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3730.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #11CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3738.4Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #12CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3741.4Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #13CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3733.8Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3675.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3739.9Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #16CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3732.0Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #17CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3682.9Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #18CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3714.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3681.5Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3707.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #20CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3674.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #21CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3680.9Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #22CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3667.8Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #23CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3679.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #24CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3609.4Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #25CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3667.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #26CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3691.3Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #27CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3707.0Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #28CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3726.3Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #29CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3699.1Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3665.7Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #30CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3655.7Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #31CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3722.8Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #32CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3756.9Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #33CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3674.7Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #34CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3697.3Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #35CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3687.8Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3685.2Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3656.5Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #6CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3721.3Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #7CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3670.0Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #8CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3702.4Semi standard non polar33892256
Eriojaposide B,3TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3684.6Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3660.8Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3573.6Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #11CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3615.1Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #12CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3619.1Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3589.0Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #14CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3612.3Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3532.1Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #16CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3580.7Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #17CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3664.2Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3585.3Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3605.5Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3615.8Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3589.7Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #21CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3618.3Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #22CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3623.4Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #23CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3588.9Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #24CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3619.1Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #25CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3534.7Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #26CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3585.2Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #27CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3609.8Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #28CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3527.4Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #29CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3542.2Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3633.9Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #30CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3528.0Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #31CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3630.0Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #32CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3568.2Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #33CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3586.6Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #34CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3573.7Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #35CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3607.2Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3602.6Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #5CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3614.4Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #6CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3613.9Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3581.9Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #8CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3607.5Semi standard non polar33892256
Eriojaposide B,4TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3531.2Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3567.0Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3453.9Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #11CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3551.5Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #12CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3472.7Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3482.2Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3463.5Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3526.2Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #16CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3553.4Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #17CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3469.5Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3475.7Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3461.2Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3562.5Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3450.2Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3499.0Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3535.9Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3551.2Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3474.5Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3517.4Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #7CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3551.8Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3462.9Semi standard non polar33892256
Eriojaposide B,5TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3468.1Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O4145.1Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4095.5Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4117.3Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4149.0Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #5CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4112.5Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #6CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4140.1Semi standard non polar33892256
Eriojaposide B,1TBDMS,isomer #7CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O4076.0Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4239.8Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #10CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4218.2Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #11CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4139.3Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #12CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4251.4Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #13CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4211.9Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #14CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4240.4Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #15CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4177.3Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #16CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4263.6Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #17CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4266.3Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #18CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4204.7Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #19CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4273.3Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4238.3Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #20CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4158.2Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #21CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4206.4Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4284.3Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4246.2Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #5CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4273.1Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O4202.0Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4247.1Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #8CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4231.5Semi standard non polar33892256
Eriojaposide B,2TBDMS,isomer #9CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4190.8Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4396.4Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #10CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4413.9Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #11CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4410.2Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #12CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4300.9Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #13CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4411.5Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #14CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4265.0Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #15CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4300.5Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #16CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4384.6Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #17CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4363.0Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #18CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4369.8Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #19CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4265.4Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4380.7Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #20CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4362.2Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #21CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4355.5Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #22CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4238.5Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #23CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4359.3Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #24CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4215.9Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #25CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4243.3Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #26CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4364.1Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #27CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4359.8Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #28CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4276.1Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #29CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4360.8Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4358.5Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #30CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4240.1Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #31CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4272.1Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #32CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4424.9Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #33CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4288.8Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #34CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4288.4Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #35CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4289.7Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4364.3Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O4256.4Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #6CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4376.3Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4352.4Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #8CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4357.9Semi standard non polar33892256
Eriojaposide B,3TBDMS,isomer #9CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1/C=C/C(C)OC1OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4254.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Eriojaposide B GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-8563920000-6d637f3bb63294d133762017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Eriojaposide B GC-MS (2 TMS) - 70eV, Positivesplash10-0007-5745109000-6c335ef6d1ac62376a062017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 10V, Positive-QTOFsplash10-0aov-1973540000-1d92cdf615f5cbc14d552016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 20V, Positive-QTOFsplash10-0a4l-1941000000-41b68d5cf0ccd415e6772016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 40V, Positive-QTOFsplash10-052f-3920000000-7bd009bf850e9c34fbcc2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 10V, Negative-QTOFsplash10-066r-4793260000-b4cad6d21bda656ad3bf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 20V, Negative-QTOFsplash10-0a4i-3892100000-a9892da6426a05132d652016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 40V, Negative-QTOFsplash10-0a4i-5890000000-457cbcafc002abac80af2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 10V, Positive-QTOFsplash10-052f-0911310000-87d9d2f0f53f56452b502021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 20V, Positive-QTOFsplash10-0uds-1900300000-233b91debba76cff1cab2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 40V, Positive-QTOFsplash10-0007-3911000000-d9ce531ce66adabe4d5a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 10V, Negative-QTOFsplash10-0a4i-0191240000-a41d28e391146d3f094c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 20V, Negative-QTOFsplash10-05n0-4914510000-dd418fb4e1ecc04e86892021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eriojaposide B 40V, Negative-QTOFsplash10-0a4l-8920000000-e3b8bc49235e3225aa052021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017239
KNApSAcK IDC00045921
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752277
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1865381
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.