EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218117 - Hypocrellutin B

ChEBI IDCHEBI:218117
ChEBI NameHypocrellutin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO2
Net Charge0
Average Mass261.365
Monoisotopic Mass261.17288
SMILESC[C@H]1C[C@H](C)[C@H]2c3c(ccnc3=O)O[C@@](C)(C1)[C@@H]2C
InChIInChI=1S/C16H23NO2/c1-9-7-10(2)13-11(3)16(4,8-9)19-12-5-6-17-15(18)14(12)13/h5-6,9-11,13H,7-8H2,1-4H3,(H,17,18)/t9-,10-,11+,13+,16-/m0/s1
InChIKeySDHZHNREOHEABR-CTSUJBPDSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) - DOI (10.1016/j.tetlet.2017.12.084)
ChEBI Ontology
Outgoing Relation(s)
Hypocrellutin B (CHEBI:218117) is a pyranopyridine (CHEBI:38192)
IUPAC Name 
(1R,9S,11S,13S,14R)-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.02,7]tetradeca-2(7),5-dien-3-one
Manual XrefsDatabases
78442433ChemSpider