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(Q105154722)
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English
methyl (2E)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
group of stereoisomers with the chemical formula C₁₆H₁₆O₇
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Statements
instance of
group of stereoisomers
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subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
320.089602852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₆O₇
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canonical SMILES
O=C1OC=2C(O)=C(OC)C=CC2C=C1C(O)C=C(C(=O)OC)C
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isomeric SMILES
COC(=O)/C(C)=C/C(O)c1cc2ccc(OC)c(O)c2oc1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H16O7/c1-8(15(19)22-3)6-11(17)10-7-9-4-5-12(21-2)13(18)14(9)23-16(10)20/h4-7,11,17-18H,1-3H3/b8-6+
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InChIKey
LOHUNZDPICOFEB-SOFGYWHQSA-N
0 references
PubChem CID
11759012
1 reference
matched by identifier from
InChIKey
InChIKey
LOHUNZDPICOFEB-SOFGYWHQSA-N
NMRShiftDB structure ID
20147307
1 reference
matched by identifier from
InChIKey
InChIKey
LOHUNZDPICOFEB-SOFGYWHQSA-N
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