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

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cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene

MNXM4525 is deprecated and here replaced by MNXM736351
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM736351
reference	chebi:16941
formula	C₁₂H₁₀O₂S
global charge	0
mol weight	218.277
InChIKey	OOOXLVUNFHBSNL-UFBFGSQYSA-N
InChI	InChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m0/s1
SMILES	O[C@@H]1C2=C(C=C[C@@H]1O)SC1=C2C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[C:11]1=[C:10]([CH:6]=[CH:5][C@H:8]([OH:13])[C@@H:12]1[OH:14])[S:15]2

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:16941 chebi:16941 OOOXLVUNFHBSNL-UFBFGSQYSA-N	cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene rel-(1R,2S)-1,2-dihydrodibenzo[b,d]thiophene-1,2-diol
envipath:...2c6840e8f264 envipathM:...2c6840e8f264 OOOXLVUNFHBSNL-UFBFGSQYSA-N	cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
seed.compound:cpd04109 seedM:cpd04109 OOOXLVUNFHBSNL-UFBFGSQYSA-N	cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene
metacyc.compound:CIS-12-DIHYDROXY-12-DIHYDRODIBENZOTHIO metacycM:CIS-12-DIHYDROXY-12-DIHYDRODIBENZOTHIO OOOXLVUNFHBSNL-UFBFGSQYSA-N	cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene
chebi:10459 chebi:12790 chebi:23270 seedM:M_cpd04109	secondary/obsolete/fantasy identifier