Hmdb loader

Showing metabocard for Pisumionoside (HMDB0039947)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:29:45 UTC
Update Date2022-03-07 02:56:24 UTC
HMDB IDHMDB0039947
Secondary Accession Numbers
  • HMDB39947
Metabolite Identification
Common NamePisumionoside
DescriptionPisumionoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on Pisumionoside.
Structure
Data?1563863466
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039947 (Pisumionoside)


  Mrv0541 02241217182D          

 28 29  0  0  0  0            999 V2000
   -0.1909   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -1.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4541    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630    0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806    1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5326    3.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    3.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474    1.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    1.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229    3.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703    1.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293   -2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -1.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -1.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102   -3.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -3.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421   -3.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039947 (Pisumionoside)

HMDB0039947
     RDKit          3D
Pisumionoside
 60 61  0  0  0  0  0  0  0  0999 V2000
   -6.1781    0.9275    2.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7551    0.5794    1.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5824    0.5459    0.4429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606    0.2676    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.0463   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5575   -0.3657   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5258   -0.6958   -1.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286    0.8186   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    2.1071   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    1.0246   -1.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7074    0.5907    0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2188   -0.5547    0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601   -0.2065   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560   -0.2036    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    1.0452    0.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754    0.8804    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950    2.1764    0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2981    1.9514    1.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2309    0.3025   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174    1.2762   -1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899   -0.4885   -1.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691   -1.3511   -2.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -1.2173   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5951   -2.1848   -1.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -1.7522    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -1.5922    0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808   -2.7948   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150   -1.6671    1.5591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0473    0.2720    3.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4049    0.7128    3.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4516    1.9915    2.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6506    0.2918    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532   -0.0467   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972   -1.0145   -2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155    2.9510   -0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617    2.2398    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880    1.9962   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    1.5346   -2.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693    0.0717   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649    1.6850   -1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544    0.3629    1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1155    1.5114    1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -0.7601    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043   -0.5044    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    0.1638    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    2.9022    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128    2.5328    1.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6273    1.0412    1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571   -0.4248   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3579    2.0047   -1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211    0.2583   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -1.1744   -3.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9985   -1.7488    0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608   -2.3728   -2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324   -2.0498   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678   -2.6078    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410   -3.7334    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595   -2.7867   -1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701   -2.5938   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3120   -2.0787    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26  6  1  0
 23 14  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  4 32  1  0
  5 33  1  0
  7 34  1  0
  9 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 25 55  1  0
 25 56  1  0
 27 57  1  0
 27 58  1  0
 27 59  1  0
 28 60  1  0
M  END
Download

3D SDF for HMDB0039947 (Pisumionoside)


  Mrv0541 02241217182D          

 28 29  0  0  0  0            999 V2000
   -0.1909   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -1.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4541    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630    0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806    1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5326    3.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    3.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474    1.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    1.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229    3.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703    1.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293   -2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -1.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -1.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102   -3.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -3.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421   -3.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039947

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+

> <INCHI_KEY>
PASRVRCWYGWSDQ-AATRIKPKSA-N

> <FORMULA>
C19H32O9

> <MOLECULAR_WEIGHT>
404.452

> <EXACT_MASS>
404.204632622

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
41.73906428106724

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.88

> <JCHEM_LOGP>
-1.5902255423333342

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.794571997140995

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.126853649030203

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083541572856

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
98.10309999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.29e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039947 (Pisumionoside)

HMDB0039947
     RDKit          3D
Pisumionoside
 60 61  0  0  0  0  0  0  0  0999 V2000
   -6.1781    0.9275    2.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7551    0.5794    1.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5824    0.5459    0.4429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606    0.2676    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.0463   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5575   -0.3657   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5258   -0.6958   -1.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286    0.8186   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    2.1071   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    1.0246   -1.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7074    0.5907    0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2188   -0.5547    0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601   -0.2065   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560   -0.2036    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    1.0452    0.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754    0.8804    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950    2.1764    0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2981    1.9514    1.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2309    0.3025   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174    1.2762   -1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899   -0.4885   -1.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691   -1.3511   -2.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -1.2173   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5951   -2.1848   -1.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -1.7522    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -1.5922    0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808   -2.7948   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150   -1.6671    1.5591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0473    0.2720    3.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4049    0.7128    3.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4516    1.9915    2.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6506    0.2918    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532   -0.0467   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972   -1.0145   -2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155    2.9510   -0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617    2.2398    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880    1.9962   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    1.5346   -2.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693    0.0717   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649    1.6850   -1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544    0.3629    1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1155    1.5114    1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -0.7601    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043   -0.5044    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    0.1638    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    2.9022    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128    2.5328    1.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6273    1.0412    1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571   -0.4248   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3579    2.0047   -1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211    0.2583   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -1.1744   -3.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9985   -1.7488    0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608   -2.3728   -2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324   -2.0498   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678   -2.6078    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410   -3.7334    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595   -2.7867   -1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701   -2.5938   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3120   -2.0787    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26  6  1  0
 23 14  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  4 32  1  0
  5 33  1  0
  7 34  1  0
  9 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 25 55  1  0
 25 56  1  0
 27 57  1  0
 27 58  1  0
 27 59  1  0
 28 60  1  0
M  END
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PDB for HMDB0039947 (Pisumionoside)

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      -0.356  -0.433   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.766  -1.215   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.766  -2.781   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -3.017  -0.433   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.171   1.133   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.581   0.349   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.051   0.507   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.356   1.133   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.897   2.227   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.861   7.393   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.330   5.983   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.389   4.730   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.702   3.322   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.766   2.071   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.825   3.322   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.896   5.670   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -4.425   2.227   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.433  -3.550   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.428  -5.088   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.905  -5.855   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.233  -5.088   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.233  -3.550   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.905  -2.787   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.563  -2.781   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.896  -3.550   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       3.566  -5.858   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.905  -7.393   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.759  -5.860   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2   18                                                       
CONECT    4    2    5                                                       
CONECT    5    4    6   14   17                                             
CONECT    6    5                                                            
CONECT    7    8                                                            
CONECT    8    1    7    9   14                                             
CONECT    9    8                                                            
CONECT   10   11                                                            
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14    5    8   13   15                                             
CONECT   15   14                                                            
CONECT   16   11                                                            
CONECT   17    5                                                            
CONECT   18    3   19   23                                                  
CONECT   19   18   20   28                                                  
CONECT   20   19   21   27                                                  
CONECT   21   20   22   26                                                  
CONECT   22   21   23   24                                                  
CONECT   23   18   22                                                       
CONECT   24   22   25                                                       
CONECT   25   24                                                            
CONECT   26   21                                                            
CONECT   27   20                                                            
CONECT   28   19                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END
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3D PDB for HMDB0039947 (Pisumionoside)

COMPND    HMDB0039947
HETATM    1  C1  UNL     1      -6.178   0.928   2.765  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.755   0.579   1.382  1.00  0.00           C  
HETATM    3  O1  UNL     1      -6.582   0.546   0.443  1.00  0.00           O  
HETATM    4  C3  UNL     1      -4.361   0.268   1.086  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.946  -0.046  -0.132  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.557  -0.366  -0.472  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.526  -0.696  -1.845  1.00  0.00           O  
HETATM    8  C6  UNL     1      -1.629   0.819  -0.307  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.403   2.107  -0.118  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.758   1.025  -1.546  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.707   0.591   0.873  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.219  -0.555   0.580  1.00  0.00           C  
HETATM   13  O3  UNL     1       1.160  -0.206  -0.356  1.00  0.00           O  
HETATM   14  C11 UNL     1       2.456  -0.204   0.108  1.00  0.00           C  
HETATM   15  O4  UNL     1       3.053   1.045   0.090  1.00  0.00           O  
HETATM   16  C12 UNL     1       4.375   0.880   0.486  1.00  0.00           C  
HETATM   17  C13 UNL     1       4.995   2.176   0.953  1.00  0.00           C  
HETATM   18  O5  UNL     1       6.298   1.951   1.331  1.00  0.00           O  
HETATM   19  C14 UNL     1       5.231   0.303  -0.618  1.00  0.00           C  
HETATM   20  O6  UNL     1       5.917   1.276  -1.333  1.00  0.00           O  
HETATM   21  C15 UNL     1       4.290  -0.488  -1.523  1.00  0.00           C  
HETATM   22  O7  UNL     1       4.969  -1.351  -2.349  1.00  0.00           O  
HETATM   23  C16 UNL     1       3.341  -1.217  -0.585  1.00  0.00           C  
HETATM   24  O8  UNL     1       2.595  -2.185  -1.251  1.00  0.00           O  
HETATM   25  C17 UNL     1      -0.568  -1.752   0.133  1.00  0.00           C  
HETATM   26  C18 UNL     1      -2.041  -1.592   0.241  1.00  0.00           C  
HETATM   27  C19 UNL     1      -2.681  -2.795  -0.469  1.00  0.00           C  
HETATM   28  O9  UNL     1      -2.415  -1.667   1.559  1.00  0.00           O  
HETATM   29  H1  UNL     1      -7.047   0.272   3.007  1.00  0.00           H  
HETATM   30  H2  UNL     1      -5.405   0.713   3.502  1.00  0.00           H  
HETATM   31  H3  UNL     1      -6.452   1.992   2.812  1.00  0.00           H  
HETATM   32  H4  UNL     1      -3.651   0.292   1.869  1.00  0.00           H  
HETATM   33  H5  UNL     1      -4.753  -0.047  -0.884  1.00  0.00           H  
HETATM   34  H6  UNL     1      -3.397  -1.014  -2.145  1.00  0.00           H  
HETATM   35  H7  UNL     1      -1.816   2.951  -0.535  1.00  0.00           H  
HETATM   36  H8  UNL     1      -2.562   2.240   0.973  1.00  0.00           H  
HETATM   37  H9  UNL     1      -3.388   1.996  -0.659  1.00  0.00           H  
HETATM   38  H10 UNL     1      -1.430   1.535  -2.291  1.00  0.00           H  
HETATM   39  H11 UNL     1      -0.469   0.072  -2.009  1.00  0.00           H  
HETATM   40  H12 UNL     1       0.065   1.685  -1.287  1.00  0.00           H  
HETATM   41  H13 UNL     1      -1.254   0.363   1.788  1.00  0.00           H  
HETATM   42  H14 UNL     1      -0.116   1.511   1.065  1.00  0.00           H  
HETATM   43  H15 UNL     1       0.777  -0.760   1.541  1.00  0.00           H  
HETATM   44  H16 UNL     1       2.404  -0.504   1.196  1.00  0.00           H  
HETATM   45  H17 UNL     1       4.362   0.164   1.352  1.00  0.00           H  
HETATM   46  H18 UNL     1       4.925   2.902   0.135  1.00  0.00           H  
HETATM   47  H19 UNL     1       4.413   2.533   1.817  1.00  0.00           H  
HETATM   48  H20 UNL     1       6.627   1.041   1.135  1.00  0.00           H  
HETATM   49  H21 UNL     1       5.957  -0.425  -0.201  1.00  0.00           H  
HETATM   50  H22 UNL     1       5.358   2.005  -1.644  1.00  0.00           H  
HETATM   51  H23 UNL     1       3.721   0.258  -2.121  1.00  0.00           H  
HETATM   52  H24 UNL     1       4.761  -1.174  -3.304  1.00  0.00           H  
HETATM   53  H25 UNL     1       3.999  -1.749   0.153  1.00  0.00           H  
HETATM   54  H26 UNL     1       2.961  -2.373  -2.162  1.00  0.00           H  
HETATM   55  H27 UNL     1      -0.232  -2.050  -0.900  1.00  0.00           H  
HETATM   56  H28 UNL     1      -0.268  -2.608   0.781  1.00  0.00           H  
HETATM   57  H29 UNL     1      -2.441  -3.733   0.041  1.00  0.00           H  
HETATM   58  H30 UNL     1      -2.359  -2.787  -1.545  1.00  0.00           H  
HETATM   59  H31 UNL     1      -3.770  -2.594  -0.490  1.00  0.00           H  
HETATM   60  H32 UNL     1      -3.312  -2.079   1.658  1.00  0.00           H  
CONECT    1    2   29   30   31
CONECT    2    3    3    4
CONECT    4    5    5   32
CONECT    5    6   33
CONECT    6    7    8   26
CONECT    7   34
CONECT    8    9   10   11
CONECT    9   35   36   37
CONECT   10   38   39   40
CONECT   11   12   41   42
CONECT   12   13   25   43
CONECT   13   14
CONECT   14   15   23   44
CONECT   15   16
CONECT   16   17   19   45
CONECT   17   18   46   47
CONECT   18   48
CONECT   19   20   21   49
CONECT   20   50
CONECT   21   22   23   51
CONECT   22   52
CONECT   23   24   53
CONECT   24   54
CONECT   25   26   55   56
CONECT   26   27   28
CONECT   27   57   58   59
CONECT   28   60
END
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SMILES for HMDB0039947 (Pisumionoside)

CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O
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INCHI for HMDB0039947 (Pisumionoside)

InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(-)-PisumionosideHMDB
Chemical FormulaC19H32O9
Average Molecular Weight404.452
Monoisotopic Molecular Weight404.204632622
IUPAC Name(3E)-4-(1,2-dihydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-one
Traditional Name(3E)-4-(1,2-dihydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-one
CAS Registry Number371113-06-3
SMILES
CC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+
InChI KeyPASRVRCWYGWSDQ-AATRIKPKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene glycosides
Direct ParentTerpene glycosides
Alternative Parents
Substituents
  • Terpene glycoside
  • Sesquiterpenoid
  • Megastigmane sesquiterpenoid
  • Cyclofarsesane sesquiterpenoid
  • Ionone derivative
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Cyclohexanol
  • Cyclitol or derivatives
  • Oxane
  • Monosaccharide
  • Alpha,beta-unsaturated ketone
  • Tertiary alcohol
  • Acryloyl-group
  • Cyclic alcohol
  • Enone
  • Secondary alcohol
  • Ketone
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Alcohol
  • Carbonyl group
  • Primary alcohol
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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 Solubility157300 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.29 g/LALOGPS
logP-0.88ALOGPS
logP-1.6ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)12.13ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity98.1 m³·mol⁻¹ChemAxon
Polarizability41.74 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+193.87930932474
DeepCCS[M-H]-191.52130932474
DeepCCS[M-2H]-225.18330932474
DeepCCS[M+Na]+200.40530932474
AllCCS[M+H]+197.732859911
AllCCS[M+H-H2O]+195.432859911
AllCCS[M+NH4]+199.832859911
AllCCS[M+Na]+200.432859911
AllCCS[M-H]-195.832859911
AllCCS[M+Na-2H]-196.832859911
AllCCS[M+HCOO]-198.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PisumionosideCC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O3674.3Standard polar33892256
PisumionosideCC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O3051.8Standard non polar33892256
PisumionosideCC(=O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O3221.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pisumionoside,1TMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O3285.8Semi standard non polar33892256
Pisumionoside,1TMS,isomer #2CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C3258.7Semi standard non polar33892256
Pisumionoside,1TMS,isomer #3CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O3255.9Semi standard non polar33892256
Pisumionoside,1TMS,isomer #4CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O3249.5Semi standard non polar33892256
Pisumionoside,1TMS,isomer #5CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O3239.1Semi standard non polar33892256
Pisumionoside,1TMS,isomer #6CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O3230.6Semi standard non polar33892256
Pisumionoside,1TMS,isomer #7C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C3330.2Semi standard non polar33892256
Pisumionoside,2TMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O3204.3Semi standard non polar33892256
Pisumionoside,2TMS,isomer #10CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3144.4Semi standard non polar33892256
Pisumionoside,2TMS,isomer #11C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3247.4Semi standard non polar33892256
Pisumionoside,2TMS,isomer #12CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O3178.6Semi standard non polar33892256
Pisumionoside,2TMS,isomer #13CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O3152.2Semi standard non polar33892256
Pisumionoside,2TMS,isomer #14CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O3157.3Semi standard non polar33892256
Pisumionoside,2TMS,isomer #15C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C3238.5Semi standard non polar33892256
Pisumionoside,2TMS,isomer #16CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O3159.2Semi standard non polar33892256
Pisumionoside,2TMS,isomer #17CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O3152.3Semi standard non polar33892256
Pisumionoside,2TMS,isomer #18C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C3234.2Semi standard non polar33892256
Pisumionoside,2TMS,isomer #19CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3159.5Semi standard non polar33892256
Pisumionoside,2TMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O3213.4Semi standard non polar33892256
Pisumionoside,2TMS,isomer #20C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3188.1Semi standard non polar33892256
Pisumionoside,2TMS,isomer #21C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3206.3Semi standard non polar33892256
Pisumionoside,2TMS,isomer #3CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O3175.1Semi standard non polar33892256
Pisumionoside,2TMS,isomer #4CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O3180.4Semi standard non polar33892256
Pisumionoside,2TMS,isomer #5CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C3238.1Semi standard non polar33892256
Pisumionoside,2TMS,isomer #6C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C3293.1Semi standard non polar33892256
Pisumionoside,2TMS,isomer #7CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C3160.3Semi standard non polar33892256
Pisumionoside,2TMS,isomer #8CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C3166.0Semi standard non polar33892256
Pisumionoside,2TMS,isomer #9CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C3125.9Semi standard non polar33892256
Pisumionoside,3TMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O3132.2Semi standard non polar33892256
Pisumionoside,3TMS,isomer #10CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3104.6Semi standard non polar33892256
Pisumionoside,3TMS,isomer #11CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C3110.3Semi standard non polar33892256
Pisumionoside,3TMS,isomer #12C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3154.1Semi standard non polar33892256
Pisumionoside,3TMS,isomer #13CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3125.8Semi standard non polar33892256
Pisumionoside,3TMS,isomer #14C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3184.2Semi standard non polar33892256
Pisumionoside,3TMS,isomer #15C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3226.8Semi standard non polar33892256
Pisumionoside,3TMS,isomer #16CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C3071.9Semi standard non polar33892256
Pisumionoside,3TMS,isomer #17CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C3033.7Semi standard non polar33892256
Pisumionoside,3TMS,isomer #18CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3055.5Semi standard non polar33892256
Pisumionoside,3TMS,isomer #19C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3135.3Semi standard non polar33892256
Pisumionoside,3TMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O3089.2Semi standard non polar33892256
Pisumionoside,3TMS,isomer #20CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C3058.1Semi standard non polar33892256
Pisumionoside,3TMS,isomer #21CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3064.1Semi standard non polar33892256
Pisumionoside,3TMS,isomer #22C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3138.5Semi standard non polar33892256
Pisumionoside,3TMS,isomer #23CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3055.2Semi standard non polar33892256
Pisumionoside,3TMS,isomer #24C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3091.3Semi standard non polar33892256
Pisumionoside,3TMS,isomer #25C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3126.8Semi standard non polar33892256
Pisumionoside,3TMS,isomer #26CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O3093.2Semi standard non polar33892256
Pisumionoside,3TMS,isomer #27CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O3091.2Semi standard non polar33892256
Pisumionoside,3TMS,isomer #28C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C3132.7Semi standard non polar33892256
Pisumionoside,3TMS,isomer #29CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3083.0Semi standard non polar33892256
Pisumionoside,3TMS,isomer #3CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O3115.7Semi standard non polar33892256
Pisumionoside,3TMS,isomer #30C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3093.1Semi standard non polar33892256
Pisumionoside,3TMS,isomer #31C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3128.0Semi standard non polar33892256
Pisumionoside,3TMS,isomer #32CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3096.0Semi standard non polar33892256
Pisumionoside,3TMS,isomer #33C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3115.1Semi standard non polar33892256
Pisumionoside,3TMS,isomer #34C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3113.0Semi standard non polar33892256
Pisumionoside,3TMS,isomer #35C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3111.9Semi standard non polar33892256
Pisumionoside,3TMS,isomer #4CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C3136.7Semi standard non polar33892256
Pisumionoside,3TMS,isomer #5C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C3194.4Semi standard non polar33892256
Pisumionoside,3TMS,isomer #6CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O3105.8Semi standard non polar33892256
Pisumionoside,3TMS,isomer #7CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O3112.3Semi standard non polar33892256
Pisumionoside,3TMS,isomer #8CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C3149.3Semi standard non polar33892256
Pisumionoside,3TMS,isomer #9C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C3200.2Semi standard non polar33892256
Pisumionoside,4TMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O3041.0Semi standard non polar33892256
Pisumionoside,4TMS,isomer #10C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3097.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #11CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3032.5Semi standard non polar33892256
Pisumionoside,4TMS,isomer #12CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C3023.2Semi standard non polar33892256
Pisumionoside,4TMS,isomer #13C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3075.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #14CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3035.3Semi standard non polar33892256
Pisumionoside,4TMS,isomer #15C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3089.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #16C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3121.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #17CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3010.0Semi standard non polar33892256
Pisumionoside,4TMS,isomer #18C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3064.7Semi standard non polar33892256
Pisumionoside,4TMS,isomer #19C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3061.1Semi standard non polar33892256
Pisumionoside,4TMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O3039.0Semi standard non polar33892256
Pisumionoside,4TMS,isomer #20C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3097.5Semi standard non polar33892256
Pisumionoside,4TMS,isomer #21CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C2998.9Semi standard non polar33892256
Pisumionoside,4TMS,isomer #22CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2983.0Semi standard non polar33892256
Pisumionoside,4TMS,isomer #23C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3045.1Semi standard non polar33892256
Pisumionoside,4TMS,isomer #24CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2975.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #25C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2998.8Semi standard non polar33892256
Pisumionoside,4TMS,isomer #26C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3024.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #27CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2986.6Semi standard non polar33892256
Pisumionoside,4TMS,isomer #28C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3018.3Semi standard non polar33892256
Pisumionoside,4TMS,isomer #29C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3026.2Semi standard non polar33892256
Pisumionoside,4TMS,isomer #3CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C3047.7Semi standard non polar33892256
Pisumionoside,4TMS,isomer #30C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3008.8Semi standard non polar33892256
Pisumionoside,4TMS,isomer #31CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3044.8Semi standard non polar33892256
Pisumionoside,4TMS,isomer #32C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3058.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #33C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3041.6Semi standard non polar33892256
Pisumionoside,4TMS,isomer #34C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3041.9Semi standard non polar33892256
Pisumionoside,4TMS,isomer #35C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3052.8Semi standard non polar33892256
Pisumionoside,4TMS,isomer #4C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C3102.4Semi standard non polar33892256
Pisumionoside,4TMS,isomer #5CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O3022.5Semi standard non polar33892256
Pisumionoside,4TMS,isomer #6CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C3006.3Semi standard non polar33892256
Pisumionoside,4TMS,isomer #7C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3051.8Semi standard non polar33892256
Pisumionoside,4TMS,isomer #8CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C3013.6Semi standard non polar33892256
Pisumionoside,4TMS,isomer #9C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3079.3Semi standard non polar33892256
Pisumionoside,5TMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O2990.7Semi standard non polar33892256
Pisumionoside,5TMS,isomer #10C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2999.0Semi standard non polar33892256
Pisumionoside,5TMS,isomer #11CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2950.4Semi standard non polar33892256
Pisumionoside,5TMS,isomer #12C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C2989.2Semi standard non polar33892256
Pisumionoside,5TMS,isomer #13C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2999.3Semi standard non polar33892256
Pisumionoside,5TMS,isomer #14C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3018.3Semi standard non polar33892256
Pisumionoside,5TMS,isomer #15C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2984.0Semi standard non polar33892256
Pisumionoside,5TMS,isomer #16CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2957.1Semi standard non polar33892256
Pisumionoside,5TMS,isomer #17C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2984.4Semi standard non polar33892256
Pisumionoside,5TMS,isomer #18C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2971.5Semi standard non polar33892256
Pisumionoside,5TMS,isomer #19C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2964.8Semi standard non polar33892256
Pisumionoside,5TMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C2981.1Semi standard non polar33892256
Pisumionoside,5TMS,isomer #20C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2961.4Semi standard non polar33892256
Pisumionoside,5TMS,isomer #21C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3013.2Semi standard non polar33892256
Pisumionoside,5TMS,isomer #3C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C3012.2Semi standard non polar33892256
Pisumionoside,5TMS,isomer #4CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2970.9Semi standard non polar33892256
Pisumionoside,5TMS,isomer #5C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C3000.6Semi standard non polar33892256
Pisumionoside,5TMS,isomer #6C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C3031.0Semi standard non polar33892256
Pisumionoside,5TMS,isomer #7CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2958.7Semi standard non polar33892256
Pisumionoside,5TMS,isomer #8C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C2988.6Semi standard non polar33892256
Pisumionoside,5TMS,isomer #9C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2987.8Semi standard non polar33892256
Pisumionoside,6TMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C2935.7Semi standard non polar33892256
Pisumionoside,6TMS,isomer #2C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C2957.2Semi standard non polar33892256
Pisumionoside,6TMS,isomer #3C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2983.9Semi standard non polar33892256
Pisumionoside,6TMS,isomer #4C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2974.4Semi standard non polar33892256
Pisumionoside,6TMS,isomer #5C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2963.6Semi standard non polar33892256
Pisumionoside,6TMS,isomer #6C=C(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2946.9Semi standard non polar33892256
Pisumionoside,6TMS,isomer #7C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C2936.7Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O3526.2Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #2CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3486.4Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #3CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O3493.5Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #4CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O3507.3Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #5CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O3490.3Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #6CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3485.1Semi standard non polar33892256
Pisumionoside,1TBDMS,isomer #7C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3549.6Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O3680.4Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #10CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3608.8Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #11C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3701.9Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #12CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O3654.4Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #13CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O3642.2Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #14CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3630.8Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #15C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3705.9Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #16CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O3634.3Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #17CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3629.9Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #18C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3710.8Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #19CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3636.2Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O3689.4Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #20C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3673.9Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #21C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3681.6Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #3CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O3669.3Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #4CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3664.0Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #5CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3705.8Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #6C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3770.8Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #7CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3628.1Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #8CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3630.5Semi standard non polar33892256
Pisumionoside,2TBDMS,isomer #9CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3602.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O3831.1Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #10CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3808.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #11CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3799.5Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #12C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3868.9Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #13CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3804.5Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #14C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3871.5Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #15C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3911.5Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #16CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3774.6Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #17CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3751.0Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #18CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3745.8Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #19C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3804.7Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O3809.4Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #20CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3754.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #21CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3748.7Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #22C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3822.7Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #23CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3749.1Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #24C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3786.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #25C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3796.4Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #26CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[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)C2O)CC1(C)O3782.0Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #27CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3773.7Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #28C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3820.4Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #29CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3771.6Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #3CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3802.2Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #30C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3789.0Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #31C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3788.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #32CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)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)CC1(C)O3769.7Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #33C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3806.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #34C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3796.3Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #35C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3795.6Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #4CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3815.6Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #5C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3874.5Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #6CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O3810.2Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #7CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3802.0Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #8CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3827.1Semi standard non polar33892256
Pisumionoside,3TBDMS,isomer #9C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3903.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #1CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[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)C2O)CC1(C)O3937.4Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #10C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3940.7Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #11CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)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)CC1(C)O3938.0Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #12CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3921.3Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #13C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3969.8Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #14CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3920.7Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #15C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3965.2Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #16C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3974.2Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #17CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3920.9Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #18C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3968.1Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #19C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3953.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #2CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3931.0Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #20C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3951.2Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #21CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[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)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3889.0Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #22CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3880.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #23C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3907.3Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #24CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3878.8Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #25C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3894.8Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #26C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3883.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #27CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)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)CC1(C)O[Si](C)(C)C(C)(C)C3883.7Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #28C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3911.1Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #29C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3908.1Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #3CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3926.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #30C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3907.5Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #31CC(=O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[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)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3902.7Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #32C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[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)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3912.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #33C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3899.3Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #34C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3904.3Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #35C=C(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)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)CC1(C)O)O[Si](C)(C)C(C)(C)C3918.9Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #4C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3963.8Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #5CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O3932.5Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #6CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C3909.1Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #7C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C3950.1Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #8CC(=O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C3905.6Semi standard non polar33892256
Pisumionoside,4TBDMS,isomer #9C=C(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C3940.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-5429000000-bd0d4e1976a369eebec52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (4 TMS) - 70eV, Positivesplash10-004i-2141119000-28cd3ff8aef3f087155f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (TBDMS_3_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (TBDMS_4_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (TBDMS_4_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (TBDMS_4_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS (TBDMS_4_18) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pisumionoside GC-MS ("Pisumionoside,3TBDMS,#10" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 10V, Positive-QTOFsplash10-0573-0196200000-3d472acd49eae679003b2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 20V, Positive-QTOFsplash10-004l-0391000000-9de6ded688f96ed5fa782016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 40V, Positive-QTOFsplash10-004j-3790000000-8a5b05c1671c05e03d692016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 10V, Negative-QTOFsplash10-0udl-1395700000-ca3e66b6e1aba7e6e6c02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 20V, Negative-QTOFsplash10-006x-2492000000-8d1ef46090a2c4e8c03c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 40V, Negative-QTOFsplash10-00dl-5980000000-13c4489eff5e4833fa142016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 10V, Positive-QTOFsplash10-0ara-0019000000-5bf917088de6ae1ec2332021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 20V, Positive-QTOFsplash10-0a4i-4942000000-219c05a124e427b9f4f22021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 40V, Positive-QTOFsplash10-0a4i-9750000000-9488f5b0ea133efc661f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 10V, Negative-QTOFsplash10-0udi-0008900000-2bce71a60e93634f669d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 20V, Negative-QTOFsplash10-0aw9-3509000000-6b0f4767558f781e3e842021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pisumionoside 40V, Negative-QTOFsplash10-0a4l-9213000000-b935f9346743c88abe692021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
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 IDFDB019609
KNApSAcK IDC00033307
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752765
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1880941
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.