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(Q104403269)
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English
3-Oxo-8-multifloren-29-oic acid
group of stereoisomers with the chemical formula C₃₀H₄₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
multiflorane triterpenoid
1 reference
inferred from
multiflorane triterpenoid
mass
454.3446953319999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₆O₃
0 references
canonical SMILES
O=C(O)C1(C)CCC2(C)CCC3(C4=C(CCC3(C)C2C1)C5(C)CCC(=O)C(C)(C)C5CC4)C
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Identifiers
InChI
InChI=1S/C30H46O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-22H,8-18H2,1-7H3,(H,32,33)
0 references
InChIKey
XKLPFWHBIRYSNP-UHFFFAOYSA-N
0 references
PubChem CID
131751810
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32003126
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035594
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XKLPFWHBIRYSNP-UHFFFAOYSA-N
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