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(Q105199516)
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English
methyl 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
group of stereoisomers with the chemical formula C₃₁H₅₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
486.3709100799999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₅₀O₄
0 references
canonical SMILES
O=C(OC)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1
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Identifiers
InChI
InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3
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InChIKey
OTDUGESKRJHFHR-UHFFFAOYSA-N
0 references
PubChem CID
609113
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
45338474
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0303780
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OTDUGESKRJHFHR-UHFFFAOYSA-N
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