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CHEBI:225137 - Paecilosetin D

ChEBI IDCHEBI:225137
ChEBI NamePaecilosetin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO4
Net Charge0
Average Mass371.477
Monoisotopic Mass371.20966
SMILESCC=C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@]1(C)C(=O)C1=C(O)C(=CC)NC1=O
InChIInChI=1S/C22H29NO4/c1-4-6-15-9-8-14-11-13(12-24)7-10-16(14)22(15,3)20(26)18-19(25)17(5-2)23-21(18)27/h4-6,8-9,13-16,24-25H,7,10-12H2,1-3H3,(H,23,27)/t13-,14-,15-,16-,22-/m1/s1
InChIKeyCYHQMEYJPYITRO-RUDKSBDPSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (33021377)
ChEBI Ontology
Outgoing Relation(s)
Paecilosetin D (CHEBI:225137) is a pyrroline (CHEBI:23763)
IUPAC Name 
3-[(1S,2R,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-ethylidene-4-hydroxypyrrol-2-one