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(Q104973236)
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English
10-Hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₀H₄₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
472.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₈O₄
0 references
canonical SMILES
O=C(O)C12CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC(C)(CO)CC1)C
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found in taxon
Akebia trifoliata
1 reference
stated in
Antibacterial oleanane-type triterpenoids from pericarps of Akebia trifoliata
Tripterygium hypoglaucum
1 reference
stated in
Terpenoids from Tripterygium wilfordii var. regelii
Tripterygium wilfordii
1 reference
stated in
Terpenoids from Tripterygium wilfordii var. regelii
Identifiers
InChI
InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)
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InChIKey
CZWBKSDPBWNHGO-UHFFFAOYSA-N
0 references
PubChem CID
5319375
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32018280
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034523
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CZWBKSDPBWNHGO-UHFFFAOYSA-N
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