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

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Caryatin

	Properties	Image
MNX_ID	MNXM45741
reference	chebi:174457
formula	C₁₇H₁₄O₇
global charge	0
mol weight	330.292
InChIKey	AOFQCVDYMNHCKD-UHFFFAOYSA-N
InChI	InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3
SMILES	COC1=CC(O)=CC2=C1C(=O)C(OC)=C(C1=CC(O)=C(O)C=C1)O2

MNX internals

InChI (mnx)	InChI=1/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3
SMILES (mnx)	[CH3:1][O:22][C:12]1=[C:14]2[C:13](=[CH:7][C:9]([OH:18])=[CH:6]1)[O:24][C:16]([C:8]1=[CH:5][C:11]([OH:20])=[C:10]([OH:19])[CH:4]=[CH:3]1)=[C:17]([O:23][CH3:2])[C:15]2=[O:21]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174457 chebi:174457 AOFQCVDYMNHCKD-UHFFFAOYSA-N	Caryatin 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one
hmdb:HMDB0037351 AOFQCVDYMNHCKD-UHFFFAOYSA-N	Caryatin 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one, 9ci 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-chromen-4-one 3,5-Di-O-methylquercetin 35-O-Dimethylquercetin caryatin
lipidmaps:LMPK12112730 lipidmapsM:LMPK12112730 AOFQCVDYMNHCKD-UHFFFAOYSA-N	Caryatin 3,5-Di-O-Methylquercetin
hmdb:HMDB37351	secondary/obsolete/fantasy identifier