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(Q123340000)
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English
3',4'-Dihydroxyflavone 4'-glucoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavone
1 reference
based on heuristic
inferred from SMILES
mass
416.11073221999993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
2-[3-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₉
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2ccccc12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C=C1
0 references
Identifiers
InChI
InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-15-6-5-10(7-13(15)24)16-8-12(23)11-3-1-2-4-14(11)28-16/h1-8,17-22,24-27H,9H2/t17-,18-,19+,20-,21-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
MFAATNHOXKDGNK-YMQHIKHWSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
10138011
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFAATNHOXKDGNK-YMQHIKHWSA-N
LIPID MAPS ID
LMPK12110108
0 references
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