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

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sulochrin

	Properties	Image
MNX_ID	MNXM2287
reference	chebi:77639
formula	C₁₇H₁₅O₇
global charge	-1
mol weight	331.3
InChIKey	YJRLSCDUYLRBIZ-UHFFFAOYSA-M
InChI	InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3/p-1
SMILES	COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1[O-]

MNX internals

InChI (mnx)	InChI=1/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3
SMILES (mnx)	[CH3:1][C:8]1=[CH:4][C:11]([OH:19])=[C:15]([C:16]([C:14]2=[C:10]([C:17](=[O:22])[O:24][CH3:3])[CH:6]=[C:9]([OH:18])[CH:7]=[C:13]2[O:23][CH3:2])=[O:21])[C:12]([OH:20])=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77639 chebi:77639 YJRLSCDUYLRBIZ-UHFFFAOYSA-M	sulochrin 3-hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)benzoyl]-5-methylphenolate sulochrin(1-)
kegg.compound:C00495 keggC:C00495 YJRLSCDUYLRBIZ-UHFFFAOYSA-N	Sulochrin
seed.compound:cpd00385 seedM:cpd00385 YJRLSCDUYLRBIZ-UHFFFAOYSA-N	Sulochrin sulochrin
metacyc.compound:SULOCHRIN metacycM:SULOCHRIN YJRLSCDUYLRBIZ-UHFFFAOYSA-M	sulochrin
CHEBI:16159 chebi:16159 YJRLSCDUYLRBIZ-UHFFFAOYSA-N	sulochrin Sulochrin methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate
chebi:15142 chebi:26838 chebi:9353 keggC:M_C00495 seedM:M_cpd00385	secondary/obsolete/fantasy identifier