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(Q105153379)
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English
(5R,7S)-5,7-dihydroxy-7-methyl-hexahydrocyclopenta[c]pyran-3-one
group of stereoisomers with the chemical formula C₉H₁₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
186.089208928
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₄O₄
0 references
canonical SMILES
O=C1OCC2C(C1)C(O)CC2(O)C
0 references
isomeric SMILES
C[C@]1(O)C[C@@H](O)C2CC(=O)OCC21
0 references
Identifiers
InChI
InChI=1S/C9H14O4/c1-9(12)3-7(10)5-2-8(11)13-4-6(5)9/h5-7,10,12H,2-4H2,1H3/t5?,6?,7-,9+/m1/s1
0 references
InChIKey
LKZXAOPEOQRJLJ-URUNJKECSA-N
0 references
PubChem CID
5318708
1 reference
matched by identifier from
InChIKey
InChIKey
LKZXAOPEOQRJLJ-URUNJKECSA-N
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