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

Feedback

(E)-pinosylvin

	Properties	Image
MNX_ID	MNXM1369402
reference	chebi:17323
formula	C₁₄H₁₂O₂
global charge	0
mol weight	212.248
InChIKey	YCVPRTHEGLPYPB-VOTSOKGWSA-N
InChI	InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
SMILES	OC1=CC(O)=CC(/C=C/C2=CC=CC=C2)=C1

MNX internals

InChI (mnx)	InChI=1/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11](/[CH:6]=[CH:7]/[C:12]2=[CH:8][C:13]([OH:15])=[CH:10][C:14]([OH:16])=[CH:9]2)[CH:5]=[CH:3]1

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:17323 chebi:17323 YCVPRTHEGLPYPB-VOTSOKGWSA-N	(E)-pinosylvin (E)-3,5-stilbenediol (E)-5-(2-phenylethenyl)-1,3-benzenediol 5-[(1E)-2-phenylethenyl]benzene-1,3-diol 5-[(E)-2-phenylvinyl]benzene-1,3-diol pinosylvine trans-3,5-dihydroxystilbene trans-pinosylvin
lipidmaps:LMPK13090001 lipidmapsM:LMPK13090001 vmhM:pnslvn vmhmetabolite:pnslvn YCVPRTHEGLPYPB-VOTSOKGWSA-N	Pinosylvin
kegg.compound:C01745 keggC:C01745 YCVPRTHEGLPYPB-VOTSOKGWSA-N	Pinosylvin 3,5-Stilbenediol
seed.compound:cpd01203 seedM:cpd01203 YCVPRTHEGLPYPB-VOTSOKGWSA-N	Pinosylvin 3,5-Stilbenediol 3,5-stilbenediol pinosylvin trans-3,5-dihydroxystilbene
metacyc.compound:CPD-438 metacycM:CPD-438 YCVPRTHEGLPYPB-VOTSOKGWSA-N	pinosylvin 3,5-stilbenediol trans-3,5-dihydroxystilbene
chebi:26140 keggC:M_C01745 seedM:M_cpd01203 vmhM:M_pnslvn	secondary/obsolete/fantasy identifier