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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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3-Hydroxy-2-formylbenzothiophene
Properties
Image
MNX_ID
MNXM36485
reference
envipathM:...462fb12c18b0
formula
C
9
H
6
O
2
S
global charge
0
mol weight
178.212
InChIKey
FKDSQVIMAMXYDT-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-5,11H
SMILES
O=CC1=C(O)C2=C(C=CC=C2)S1
MNX internals
InChI (mnx)
InChI=1/C9H6O2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-5,11H
SMILES (mnx)
[CH:1]1=[CH:2][CH:4]=[C:7]2[C:6](=[CH:3]1)[C:9]([OH:11])=[C:8]([CH:5]=[O:10])[S:12]2
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
envipath:...462fb12c18b0
envipathM:...462fb12c18b0
FKDSQVIMAMXYDT-UHFFFAOYSA-N
3-Hydroxy-2-formylbenzothiophene
CHEBI:20034
chebi:20034
3-hydroxy-2-formyl-1-benzothiophene