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(Q82989290)
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English
Methyl 5,6,7-trihydroxy-7-methyl-1-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
iridoid
0 references
mass
258.07395278800004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₄O₇
0 references
canonical SMILES
O=C(OC)C1=COC(=O)C2C1C(O)C(O)C2(O)C
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Identifiers
InChI
InChI=1S/C11H14O7/c1-11(16)6-5(7(12)8(11)13)4(9(14)17-2)3-18-10(6)15/h3,5-8,12-13,16H,1-2H3
0 references
InChIKey
QWQJCCRASRUSDH-UHFFFAOYSA-N
0 references
CAS Registry Number
75853-66-6
0 references
PubChem CID
156634
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QWQJCCRASRUSDH-UHFFFAOYSA-N
UniChem compound ID
65946126
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00997244
1 reference
matched by identifier from
InChIKey
InChIKey
QWQJCCRASRUSDH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID101424250
0 references
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