EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216887 - Microansamycin B

ChEBI IDCHEBI:216887
ChEBI NameMicroansamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO5
Net Charge0
Average Mass319.357
Monoisotopic Mass319.14197
SMILESC[C@H]1C[C@@H]2O[C@H]2CC[C@@H]2CC(=O)C=C3NC(=O)[C@@](C)(C1=O)[C@]32O
InChIInChI=1S/C17H21NO5/c1-8-5-12-11(23-12)4-3-9-6-10(19)7-13-17(9,22)16(2,14(8)20)15(21)18-13/h7-9,11-12,22H,3-6H2,1-2H3,(H,18,21)/t8-,9+,11-,12-,16+,17+/m0/s1
InChIKeyNSJVBGMLBQMMIK-OXOMCRHWSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (29412682)
ChEBI Ontology
Outgoing Relation(s)
Microansamycin B (CHEBI:216887) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,4S,6S,8S,10R,17S)-17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.04,6.013,17]heptadec-13-ene-9,11,15-trione
Manual XrefsDatabases
78439349ChemSpider