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(Q105111357)
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English
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
group of stereoisomers with the chemical formula C₃₀H₄₆O₆
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Statements
instance of
group of stereoisomers
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subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
502.6838
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₆O₆
0 references
canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C(=O)O)(C)C5CCC4(C)C3(C)CC1
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Identifiers
InChI
InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)
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InChIKey
IDGXIXSKISLYAC-UHFFFAOYSA-N
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PubChem CID
436072
1 reference
based on heuristic
inferred from InChIKey
ChEBI ID
177711
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
32003986
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034551
1 reference
based on heuristic
inferred from InChIKey
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