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

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

	Properties	Image
MNX_ID	MNXM1952
reference	chebi:15565
formula	C₇H₁₀O₂
global charge	0
mol weight	126.155
InChIKey	FTZZKLFGNQOODA-NKWVEPMBSA-N
InChI	InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m0/s1
SMILES	CC1=CC=C[C@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m0/s1
SMILES (mnx)	[CH3:1][C:5]1=[CH:3][CH:2]=[CH:4][C@H:6]([OH:8])[C@@H:7]1[OH:9]

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:15565 chebi:15565 FTZZKLFGNQOODA-NKWVEPMBSA-N	(1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol Toluene-cis-1,2-dihydrodiol Toluene-cis-dihydrodiol
metacyc.compound:TOLUENECISDHDIOL metacycM:TOLUENECISDHDIOL FTZZKLFGNQOODA-NKWVEPMBSA-N	(1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol (+)-cis-1S,2R-dihydroxy-3-methyl-cyclohexa-3,5-diene toluene-cis-1,2-dihydrodiol toluene-cis-dihydrodiol
seed.compound:cpd02798 seedM:cpd02798 FTZZKLFGNQOODA-NKWVEPMBSA-N	Toluene-cis-dihydrodiol (+)-cis-1S,2R-dihydroxy-3-methyl-cyclohexa-3,5-diene (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol toluene-cis-1,2-dihydrodiol toluene-cis-1,2-dihydroxydiol toluene-cis-dihydrodiol
kegg.compound:C04592 keggC:C04592 FTZZKLFGNQOODA-NKWVEPMBSA-N	Toluene-cis-dihydrodiol (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
chebi:10829 chebi:18512 chebi:9626 keggC:M_C04592 seedM:M_cpd02798	secondary/obsolete/fantasy identifier