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(Q111077161)
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English
3,3′,4′,7,8-pentahydroxyflavylium
cation
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Statements
instance of
type of chemical entity
0 references
subclass of
cation
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chemical structure
Melacacinidin cation.svg
665 × 315; 15 KB
0 references
mass
287.05501449209
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₁O₆⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=CC(=CC1O)C=2[O+]=C3C(O)=C(O)C=CC3=CC2O
0 references
Identifiers
InChI
InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)14-12(19)6-8-2-4-10(17)13(20)15(8)21-14/h1-6H,(H4-,16,17,18,19,20)/p+1
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InChIKey
JWCBMQQZRJYFKV-UHFFFAOYSA-O
0 references
CAS Registry Number
85013-04-3
1 reference
stated in
SciFinder
PubChem CID
85930794
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JWCBMQQZRJYFKV-UHFFFAOYSA-O
KNApSAcK ID
C00020650
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JWCBMQQZRJYFKV-UHFFFAOYSA-O
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