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(Q105184881)
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English
[3,4,5-Trihydroxy-6-(8-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₄H₂₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
502.1111261439997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₂O₁₂
0 references
canonical SMILES
O=C1OC=2C(O)=C(OC3OC(COC(=O)C=CC4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C=CC2C=C1
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Identifiers
InChI
InChI=1S/C24H22O12/c25-13-5-1-11(9-14(13)26)2-7-17(27)33-10-16-19(29)21(31)22(32)24(35-16)34-15-6-3-12-4-8-18(28)36-23(12)20(15)30/h1-9,16,19,21-22,24-26,29-32H,10H2
0 references
InChIKey
NRXBNSBNWUANMF-UHFFFAOYSA-N
0 references
PubChem CID
73880593
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NRXBNSBNWUANMF-UHFFFAOYSA-N
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