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

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1,2-dihydronaphthalene-1,2-diol

	Properties	Image
MNX_ID	MNXM114239
reference	chebi:28516
formula	C₁₀H₁₀O₂
global charge	0
mol weight	162.188
InChIKey	QPUHWUSUBHNZCG-UHFFFAOYSA-N
InChI	InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H
SMILES	OC1C=CC2=CC=CC=C2C1O

MNX internals

InChI (mnx)	InChI=1/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9?,10?
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH:5]=[CH:6][CH:9]([OH:11])[CH:10]2[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28516 chebi:28516 QPUHWUSUBHNZCG-UHFFFAOYSA-N	1,2-dihydronaphthalene-1,2-diol 1,2-Dihydronaphthalene-1,2-diol 1,2-Dihydroxy-1,2-dihydronaphthalene
vmhM:M00243 vmhmetabolite:M00243 QPUHWUSUBHNZCG-UHFFFAOYSA-N	1,2-Dihydronaphthalene-1,2-Diol 1,2-dihydronaphthalene-1,2-diol
bigg.metabolite:dhnpthld biggM:dhnpthld seed.compound:cpd03712 seedM:cpd03712 sabiork.compound:8459 sabiorkM:8459 kegg.compound:C06205 keggC:C06205 QPUHWUSUBHNZCG-UHFFFAOYSA-N	1,2-Dihydronaphthalene-1,2-diol
hmdb:HMDB0060335 QPUHWUSUBHNZCG-UHFFFAOYSA-N	1,2-Dihydronaphthalene-1,2-diol 1,2-Dihydroxy-1,2-dihydronaphthalene 1,2-Dihydroxy-1,2-dihydronaphthalene, (1S-trans)-isomer 1,2-Dihydroxy-1,2-dihydronaphthalene, (cis)-(+-)-isomer 1,2-Dihydroxy-1,2-dihydronaphthalene, (cis)-isomer 1,2-Dihydroxy-1,2-dihydronaphthalene, (trans)-(+-)-isomer 1,2-Dihydroxy-1,2-dihydronaphthalene, (trans)-(-)-isomer 1,2-Dihydroxy-1,2-dihydronaphthalene, (trans)-isomer 1,2-dihydronaphthalene-1,2-diol Naphthalene-1,2-dihydrodiol naphthalene-1,2-dihydrodiol trans-1,2-Dihydroxy-1,2-dihydronaphthalene
vmhM:12dhnp12d vmhmetabolite:12dhnp12d QPUHWUSUBHNZCG-UHFFFAOYSA-N	cis-1,2-Dihydronaphthalene-1,2-diol 1,2-dihydronaphthalene-1,2-diol
hmdb:HMDB60335 chebi:18888 chebi:501 biggM:M_dhnpthld keggC:M_C06205 seedM:M_cpd03712 vmhM:M_12dhnp12d vmhM:M_M00243	secondary/obsolete/fantasy identifier