3,3′,4′,7,8-pentahydroxyflavylium (Q111077161)

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cation

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Language	Label	Description	Also known as
English	3,3′,4′,7,8-pentahydroxyflavylium	cation

Statements

instance of

type of chemical entity

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subclass of

cation

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chemical structure

Melacacinidin cation.svg
665 × 315; 15 KB

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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

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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

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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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