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(Q113949762)
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English
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
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
448.1005614599998
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Distichin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3-(alpha-D-Xylopyranosyloxy)-3'-methoxy-4',5,7-trihydroxyflavone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₁₁
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OCC(O)C(O)C2O)ccc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O
1 reference
based on heuristic
inferred from SMILES
Identifiers
InChI
InChI=1S/C21H20O11/c1-29-13-4-8(2-3-10(13)23)19-20(32-21-18(28)16(26)12(25)7-30-21)17(27)15-11(24)5-9(22)6-14(15)31-19/h2-6,12,16,18,21-26,28H,7H2,1H3/t12-,16+,18-,21+/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
AIDCMCULKOAYOW-HVQFUZGHSA-N
0 references
PubChem CID
12088155
1 reference
matched by identifier from
InChIKey
InChIKey
AIDCMCULKOAYOW-HVQFUZGHSA-N
KNApSAcK ID
C00053376
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AIDCMCULKOAYOW-HVQFUZGHSA-N
LIPID MAPS ID
LMPK12110598
0 references
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