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CHEBI:218111 - Hypocrellutin A

ChEBI IDCHEBI:218111
ChEBI NameHypocrellutin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO3
Net Charge0
Average Mass277.364
Monoisotopic Mass277.16779
SMILESC[C@H]1C[C@H](C)[C@H]2c3c(ccn(O)c3=O)O[C@@](C)(C1)[C@@H]2C
InChIInChI=1S/C16H23NO3/c1-9-7-10(2)13-11(3)16(4,8-9)20-12-5-6-17(19)15(18)14(12)13/h5-6,9-11,13,19H,7-8H2,1-4H3/t9-,10-,11+,13+,16-/m0/s1
InChIKeyABYQDZGVWZQEIE-CTSUJBPDSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) - DOI (10.1016/j.tetlet.2017.12.084)
ChEBI Ontology
Outgoing Relation(s)
Hypocrellutin A (CHEBI:218111) is a pyranopyridine (CHEBI:38192)
IUPAC Name 
(1R,9S,11S,13S,14R)-4-hydroxy-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.02,7]tetradeca-2(7),5-dien-3-one
Manual XrefsDatabases
78442432ChemSpider