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(Q105146796)
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English
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₂₈H₂₄O₁₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
8C-substituted flavone
1 reference
inferred from
8C-substituted flavone
mass
600.4823
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₄O₁₅
0 references
canonical SMILES
O=C(OC1C(O)C(O)C(OC1C=2C(O)=CC(O)=C3C(=O)C=C(OC32)C=4C=CC(O)=C(O)C4)CO)C5=CC(O)=C(O)C(O)=C5
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Identifiers
InChI
InChI=1S/C28H24O15/c29-8-19-23(38)24(39)27(43-28(40)10-4-16(35)22(37)17(36)5-10)26(42-19)21-14(33)6-13(32)20-15(34)7-18(41-25(20)21)9-1-2-11(30)12(31)3-9/h1-7,19,23-24,26-27,29-33,35-39H,8H2
0 references
InChIKey
KVXWWRLZEGVWRD-UHFFFAOYSA-N
0 references
PubChem CID
21159145
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVXWWRLZEGVWRD-UHFFFAOYSA-N
UniChem compound ID
65632486
1 reference
stated in
UniChem
NMRShiftDB structure ID
2369
1 reference
matched by identifier from
InChIKey
InChIKey
KVXWWRLZEGVWRD-UHFFFAOYSA-N
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