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(Q104993286)
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English
Ambolic acid
group of stereoisomers with the chemical formula C₃₁H₅₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
24-methylcycloartane steroid
1 reference
inferred from
24-methylcycloartane steroid
mass
470.3759954599999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₅₀O₃
0 references
canonical SMILES
O=C(O)C(C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C
0 references
Identifiers
InChI
InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)
0 references
InChIKey
FCQSIIVNJCMJLB-UHFFFAOYSA-N
0 references
PubChem CID
78385010
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FCQSIIVNJCMJLB-UHFFFAOYSA-N
ChEBI ID
175693
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)
UniChem compound ID
32021293
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035713
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FCQSIIVNJCMJLB-UHFFFAOYSA-N
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