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(Q105003986)
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English
2-[(4aR,8R)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
group of stereoisomers with the chemical formula C₁₅H₂₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
252.172544628
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₄O₃
0 references
canonical SMILES
O=C(O)C(=C)C1CCC2(C)CCCC(O)(C)C2C1
0 references
isomeric SMILES
C=C(C(=O)O)C1CC[C@@]2(C)CCC[C@@](C)(O)C2C1
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Identifiers
InChI
InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11?,12?,14-,15-/m1/s1
0 references
InChIKey
FXKCXGBBUBCRPU-BBNOBNGHSA-N
0 references
PubChem CID
386212
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FXKCXGBBUBCRPU-BBNOBNGHSA-N
UniChem compound ID
50215022
1 reference
stated in
UniChem
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