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English
Capsicoside B1
group of stereoisomers with the chemical formula C₃₉H₆₄O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
756.429606728
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₉H₆₄O₁₄
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(OC2CO)OC3CC4CCC5C(CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C4(C)CC3O)C(O)C(O)C1O
0 references
found in taxon
Agave utahensis
1 reference
stated in
Steroidal glycosides from Agave utahensis and their cytotoxic activity.
Identifiers
InChI
InChI=1S/C39H64O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-35-33(47)31(45)34(27(15-41)51-35)52-36-32(46)30(44)29(43)26(14-40)50-36/h17-36,40-47H,5-16H2,1-4H3
0 references
InChIKey
BOFSXGGSAUTBNA-UHFFFAOYSA-N
0 references
PubChem CID
73800784
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BOFSXGGSAUTBNA-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0303763
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BOFSXGGSAUTBNA-UHFFFAOYSA-N
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