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

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bikaverin

	Properties	Image
MNX_ID	MNXM44271
reference	chebi:3096
formula	C₂₀H₁₄O₈
global charge	0
mol weight	382.324
InChIKey	ZOQMSOSJEWBMHP-UHFFFAOYSA-N
InChI	InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3
SMILES	COC1=CC(C)=C2C(=O)C3=C(O)C4=C(C(=O)C(OC)=CC4=O)C(O)=C3OC2=C1

MNX internals

InChI (mnx)	InChI=1/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:4][C:8]([O:26][CH3:2])=[CH:5][C:10]2=[C:12]1[C:17](=[O:23])[C:15]1=[C:18]([OH:24])[C:13]3=[C:14]([C:16](=[O:22])[C:11]([O:27][CH3:3])=[CH:6][C:9]3=[O:21])[C:19]([OH:25])=[C:20]1[O:28]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3096 chebi:3096 ZOQMSOSJEWBMHP-UHFFFAOYSA-N	bikaverin 6,11-dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione Lycopersin
kegg.compound:C10306 keggC:C10306 ZOQMSOSJEWBMHP-UHFFFAOYSA-N	Bikaverin
seed.compound:cpd07195 seedM:cpd07195 ZOQMSOSJEWBMHP-UHFFFAOYSA-N	Bikaverin 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione bikaverin lycopersin
metacyc.compound:CPD-18207 metacycM:CPD-18207 ZOQMSOSJEWBMHP-UHFFFAOYSA-N	bikaverin 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione lycopersin
keggC:M_C10306 seedM:M_cpd07195	secondary/obsolete/fantasy identifier