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

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peonidin

MNXM107648 is deprecated and here replaced by MNXM1363591
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1363591
reference	chebi:144779
formula	C₁₆H₁₁O₆
global charge	-1
mol weight	299.258
InChIKey	XFDQJKDGGOEYPI-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p-1
SMILES	COC1=CC(C2=[O+]C3=CC(O)=CC([O-])=C3C=C2[O-])=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)
SMILES (mnx)	[CH3:1][O:21][C:15]1=[C:11]([OH:18])[CH:3]=[CH:2][C:8]([C:16]2=[O+:22][C:14]3=[CH:6][C:9]([OH:17])=[CH:5][C:12]([OH:19])=[C:10]3[CH:7]=[C:13]2[O-:20])=[CH:4]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144779 chebi:144779 XFDQJKDGGOEYPI-UHFFFAOYSA-M	peonidin 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-1-ium-3,5-bis(olate) 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3,5-bis(olate) peonidin(1-)
lipidmaps:LMPK12010006 lipidmapsM:LMPK12010006 XFDQJKDGGOEYPI-UHFFFAOYSA-O	Peonidin
sabiork.compound:10818 sabiorkM:10818 XFDQJKDGGOEYPI-UHFFFAOYSA-O	Peonidin 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyryliumchloride
CHEBI:75314 chebi:75314 XFDQJKDGGOEYPI-UHFFFAOYSA-O	peonidin 3,4',5,7-tetrahydroxy-3'-methoxyflavylium 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium peonidin cation peonidin(1+)
metacyc.compound:CPD-15052 metacycM:CPD-15052 XFDQJKDGGOEYPI-UHFFFAOYSA-M	peonidin 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium