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(Q104395501)
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English
Gypsogenin 3-O-b-D-glucuronide
group of stereoisomers with the chemical formula C₃₆H₅₄O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
646.8093
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₅₄O₁₀
0 references
canonical SMILES
O=CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C4(C)CCC13
0 references
found in taxon
Gypsophila repens
1 reference
stated in
Saponins from Trifolium repens
Vaccaria hispanica
1 reference
stated in
Glycosides of Vaccaria segetalis V. Vaccarin
Identifiers
InChI
InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)
0 references
InChIKey
NUSHOJSYOLRGAX-UHFFFAOYSA-N
0 references
PubChem CID
13919536
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32008272
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034520
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NUSHOJSYOLRGAX-UHFFFAOYSA-N
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