MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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cyanidin

	Properties	Image
MNX_ID	MNXM1372542
reference	chebi:71682
formula	C₁₅H₉O₆
global charge	-1
mol weight	285.231
InChIKey	VEVZSMAEJFVWIL-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p-1
SMILES	[O-]C1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C=C3)=C([O-])C=C12

MNX internals

InChI (mnx)	InChI=1/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)
SMILES (mnx)	[CH:1]1=[CH:2][C:10]([OH:17])=[C:12]([OH:19])[CH:3]=[C:7]1[C:15]1=[O+:21][C:14]2=[CH:5][C:8]([OH:16])=[CH:4][C:11]([OH:18])=[C:9]2[CH:6]=[C:13]1[O-:20]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71682 chebi:71682 VEVZSMAEJFVWIL-UHFFFAOYSA-M	cyanidin 2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3,5-diolate cyanidin(1-)
lipidmaps:LMPK12010002 lipidmapsM:LMPK12010002 VEVZSMAEJFVWIL-UHFFFAOYSA-O	Cyanidin
hmdb:HMDB0002708 VEVZSMAEJFVWIL-UHFFFAOYSA-O	Cyanidin 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1) 2-(3,4-Dihydroxyphenyl) chromenylium-3,5,7-triol 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2H-chromen-2-ylium 3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride 3,3',4',5,7-Pentahydroxyflavylium 3,3',4',5,7-Pentahydroxyflavylium chloride 3,3',4',5,7-Pentahydroxyflavyliumchlorid 3,5,7,3',4'-Pentahydroxyflavylium Chlorure de 3,3',4',5,7-pentahydroxyflavylium Cyanidin cation Cyanidin chloride Cyanidin ion Cyanidine Cyanidol Cyanidol chloride Flavylium, 3,3',4',5,7-pentahydroxy-, chloride IdB 1027
sabiork.compound:8255 sabiorkM:8255 kegg.compound:C05905 keggC:C05905 VEVZSMAEJFVWIL-UHFFFAOYSA-O	Cyanidin 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride 3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride 3,3',4',5,7-Pentahydroxyflavylium chloride 3,3',4',5,7-Pentahydroxyflavyliumchlorid Chlorure de 3,3',4',5,7-pentahydroxyflavylium Cyanidin chloride Cyanidine Cyanidol Cyanidol chloride IdB 1027
CHEBI:27843 chebi:27843 VEVZSMAEJFVWIL-UHFFFAOYSA-O	cyanidin cation 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenium 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium 3,3',4',5,7-pentahydroxyflavylium 3,5,7,3',4'-Pentahydroxyflavylium Cyanidin Cyanidine Cyanidol
metacyc.compound:CPD-591 metacycM:CPD-591 VEVZSMAEJFVWIL-UHFFFAOYSA-M	cyanidin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium 3,3',4',5,7-pentahydroxyflavylium cyanidol
hmdb:HMDB02708 chebi:23425 chebi:3970 keggC:M_C05905	secondary/obsolete/fantasy identifier