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CHEBI:219238 - Pericoannosin A

ChEBI IDCHEBI:219238
ChEBI NamePericoannosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35NO3
Net Charge0
Average Mass361.526
Monoisotopic Mass361.26169
SMILESC/C=C(\C)[C@H]1O[C@@](O)([C@@H]2C[C@H](CC(C)C)NC2=O)C[C@H]2CC=C(C)C[C@@H]21
InChIInChI=1S/C22H35NO3/c1-6-15(5)20-18-10-14(4)7-8-16(18)12-22(25,26-20)19-11-17(9-13(2)3)23-21(19)24/h6-7,13,16-20,25H,8-12H2,1-5H3,(H,23,24)/b15-6+/t16-,17+,18+,19-,20-,22-/m1/s1
InChIKeyZQVUGTNCXDEQJP-JFCTZHMUSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - PubMed (26308676)
ChEBI Ontology
Outgoing Relation(s)
Pericoannosin A (CHEBI:219238) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S,5S)-3-[(1S,3R,4aR,8aS)-1-[(E)-but-2-en-2-yl]-3-hydroxy-7-methyl-1,4,4a,5,8,8a-hexahydroisochromen-3-yl]-5-(2-methylpropyl)pyrrolidin-2-one
Manual XrefsDatabases
78438696ChemSpider