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(Q63395309)
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English
(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavylium compound
1 reference
based on heuristic
inferred from SMILES
mass
433.11292329209
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₁O₁₀⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C(O)C=2C=C(OC3OC(C)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=CC(O)=C(O)C4
0 references
isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C([O+]=C3C=C(C=C(C3=C2)O)O)C4=CC(=C(C=C4)O)O)O)O)O
0 references
found in taxon
Erythrina vogelii
1 reference
stated in
Identification of the Flavonoids in Papilionaceae Flowers Using Paper Chromatography
Identifiers
InChI
InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1/t8-,17-,18+,19+,21-/m0/s1
0 references
InChIKey
USWXMMRFOWNEOR-VWLKIGRWSA-O
0 references
PubChem CID
11464648
1 reference
matched by identifier from
InChIKey
InChIKey
USWXMMRFOWNEOR-VWLKIGRWSA-O
UniChem compound ID
33641131
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR100439
0 references
MSBNK-RIKEN-PR100892
0 references
DSSTox substance ID
DTXSID401345643
1 reference
matched by identifier from
InChIKey
InChIKey
USWXMMRFOWNEOR-VWLKIGRWSA-O
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