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

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(2R,3S)-3-phenylcyclohexa-3,5-diene-1,2-diol

	Properties	Image
MNX_ID	MNXM2294
reference	chebi:32922
formula	C₁₂H₁₂O₂
global charge	0
mol weight	188.226
InChIKey	UMAHGMFKBJHGME-NWDGAFQWSA-N
InChI	InChI=1S/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1
SMILES	O[C@@H]1C(C2=CC=CC=C2)=CC=C[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:5]=[C:9]([C:10]2=[CH:7][CH:4]=[CH:8][C@H:11]([OH:13])[C@@H:12]2[OH:14])[CH:6]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32922 chebi:32922 UMAHGMFKBJHGME-NWDGAFQWSA-N	(2R,3S)-3-phenylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol cis-2,3-dihydro-2,3-dihydroxybiphenyl cis-2,3-dihydroxy-4-phenylhexa-4,6-diene cis-3-Phenylcyclohexa-3,5-diene-1,2-diol
envipath:...60a1d4a14e99 envipathM:...60a1d4a14e99 vmhM:23d23dbiphe vmhmetabolite:23d23dbiphe UMAHGMFKBJHGME-NWDGAFQWSA-N	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
seed.compound:cpd03995 seedM:cpd03995 UMAHGMFKBJHGME-NWDGAFQWSA-N	cis-2,3-Dihydro-2,3-dihydroxybiphenyl (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol cis-2,3-dihydro-2,3-dihydroxybiphenyl cis-3-Phenylcyclohexa-3,5-diene-1,2-diol cis-3-phenylcyclohexa-3,5-diene-1,2-diol
kegg.compound:C06589 keggC:C06589 UMAHGMFKBJHGME-NWDGAFQWSA-N	cis-2,3-Dihydro-2,3-dihydroxybiphenyl (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol cis-3-Phenylcyclohexa-3,5-diene-1,2-diol
metacyc.compound:CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL metacycM:CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL UMAHGMFKBJHGME-NWDGAFQWSA-N	cis-3-phenylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol cis-2,3-dihydro-2,3-dihydroxybiphenyl
chebi:10861 chebi:23279 keggC:M_C06589 seedM:M_cpd03995 vmhM:M_23d23dbiphe	secondary/obsolete/fantasy identifier