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(Q104195748)
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English
(3-Formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
group of stereoisomers with the chemical formula C₂₄H₂₉ClO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
illudane sesquiterpenoid
1 reference
inferred from
illudane sesquiterpenoid
mass
448.16526632799986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₉ClO₆
0 references
canonical SMILES
O=CC1=CC2CC(C)(C)CC2C3(C)CC(OC(=O)C4=C(O)C=C(OC)C(Cl)=C4C)C13O
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Identifiers
InChI
InChI=1S/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3
0 references
InChIKey
QETHRCCHQRWBIJ-UHFFFAOYSA-N
0 references
PubChem CID
75629634
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QETHRCCHQRWBIJ-UHFFFAOYSA-N
UniChem compound ID
31996710
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035134
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QETHRCCHQRWBIJ-UHFFFAOYSA-N
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