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CHEBI:209664 - Pyrenosetin C

ChEBI IDCHEBI:209664
ChEBI NamePyrenosetin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO5
Net Charge0
Average Mass427.541
Monoisotopic Mass427.23587
SMILESCC(=O)C=C[C@@H]1[C@H]2C(C)=C[C@H]3C[C@@H](C)CC[C@@H]3[C@@]2(C)C(=O)[C@@]12C(=O)[C@@H](CO)N(C)C2=O
InChIInChI=1S/C25H33NO5/c1-13-6-8-17-16(10-13)11-14(2)20-18(9-7-15(3)28)25(22(30)24(17,20)4)21(29)19(12-27)26(5)23(25)31/h7,9,11,13,16-20,27H,6,8,10,12H2,1-5H3/t13-,16+,17-,18+,19+,20+,24+,25-/m0/s1
InChIKeyLQXNTMMEAPEMLM-DMLHXFJKSA-N
Species of MetaboliteComponentSourceComments
Pyrenochaetopsis (ncbitaxon:798144) - PubMed (31940767)
ChEBI Ontology
Outgoing Relation(s)
Pyrenosetin C (CHEBI:209664) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,3R,3aS,5'R,5aR,7S,9aS,9bR)-5'-(hydroxymethyl)-1',4,7,9b-tetramethyl-3-(3-oxobut-1-enyl)spiro[3,3a,5a,6,7,8,9,9a-octahydrocyclopenta[a]naphthalene-2,3'-pyrrolidine]-1,2',4'-trione