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

Feedback

(+)-nyasol

	Properties	Image
MNX_ID	MNXM723100
reference	chebi:131956
formula	C₁₇H₁₆O₂
global charge	0
mol weight	252.313
InChIKey	VEAUNWQYYMXIRB-XSHSDMCLSA-N
InChI	InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-/t14-/m0/s1
SMILES	C=C[C@@H](/C=C\C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-/t14-/m0/s1
SMILES (mnx)	[CH2:1]=[CH:2][C@@H:14](/[CH:6]=[CH:3]\[C:13]1=[CH:5][CH:10]=[C:16]([OH:18])[CH:9]=[CH:4]1)[C:15]1=[CH:8][CH:12]=[C:17]([OH:19])[CH:11]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131956 chebi:131956 VEAUNWQYYMXIRB-XSHSDMCLSA-N	(+)-nyasol (1Z,3S)-(+)-nyasol (1Z,3S)-4,4'-(3-ethenyl-1-propene-1,3-diyl)-bisphenol (1Z,3S)-nyasol (3S)-(+)-nyasol (3S)-nyasol (S)-(+)-nyasol (S)-nyasol 4,4'-(1Z,3S)-penta-1,4-diene-1,3-diyldiphenol 4-[(1Z,3S)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenol cis-hinokiresinol
metacyc.compound:CPD-17604 metacycM:CPD-17604 VEAUNWQYYMXIRB-XSHSDMCLSA-N	(7S)-cis-hinokiresinol (7S)-(Z)-hinokiresinol
kegg.compound:C10628 keggC:C10628 VEAUNWQYYMXIRB-XSHSDMCLSA-N	cis-Hinokiresinol
seed.compound:cpd07514 seedM:cpd07514 VEAUNWQYYMXIRB-XSHSDMCLSA-N	cis-Hinokiresinol (7S)-(Z)-hinokiresinol (7S)-cis-hinokiresinol
keggC:M_C10628 seedM:M_cpd07514	secondary/obsolete/fantasy identifier