Summary

IMPPAT Phytochemical identifier: IMPHY010093

Phytochemical name: Gingerglycolipid C

Synonymous chemical names:
gingerglycolipid c

External chemical identifiers:
CID:101635263, ChEBI:172798

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Chemical structure information

SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O)O

InChI:
InChI=1S/C33H60O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h9-10,22-24,26-35,37-42H,2-8,11-21H2,1H3/b10-9+/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1

InChIKey:
VROZOADUAPWACT-SEALLASQSA-N

DeepSMILES:
CCCCCCCC/C=C/CCCCCCCC=O)OC[C@H]CO[C@@H]O[C@H]CO[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))))[C@@H][C@@H][C@H]6O))O))O)))))))O

Functional groups:
C/C=C/C, CO, COC(C)=O, CO[C@@H](C)OC, CO[C@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(COC2CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(COC2CCCCO2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Glycosylglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Glycosylmonoacylglycerols

NP-Likeness score: 1.281

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Chemical structure download