EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219710 - 3-demethylchuangxinmycin

ChEBI IDCHEBI:219710
ChEBI Name3-demethylchuangxinmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H9NO2S
Net Charge0
Average Mass219.265
Monoisotopic Mass219.03540
SMILESO=C(O)[C@H]1Cc2cnc3cccc(c23)S1
InChIInChI=1S/C11H9NO2S/c13-11(14)9-4-6-5-12-7-2-1-3-8(15-9)10(6)7/h1-3,5,9,12H,4H2,(H,13,14)/t9-/m1/s1
InChIKeyIBFALAJQGUDUBZ-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (27405170)
ChEBI Ontology
Outgoing Relation(s)
3-demethylchuangxinmycin (CHEBI:219710) is a indoles (CHEBI:24828)
IUPAC Name 
(6R)-7-thia-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid