CHEBI:225131 - Paecilosetin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Paecilosetin C
ChEBI ID CHEBI:225131
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29NO3
Net Charge 0
Average Mass 355.478
Monoisotopic Mass 355.21474
InChI InChI=1S/C22H29NO3/c1-5-7-15-10-9-14-12-13(3)8-11-16(14)22(15,4)20(25)18-19(24)17(6-2)23-21(18)26/h5-7,9-10,13-16,24H,8,11-12H2,1-4H3,(H,23,26)/b7-5?,17-6-/t13-,14-,15-,16-,22-/m1/s1
InChIKey YJBNSXWBJAHNMO-MEODPQOXSA-N
SMILES O=C1N/C(=C\C)/C(=C1C(=O)[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)C)C=CC)C)O
Metabolite of Species Details
Isaria (NCBI:txid72232) See: PubMed
ChEBI Ontology
Outgoing Paecilosetin C (CHEBI:225131) is a pyrroline (CHEBI:23763)
IUPAC Name
(5Z)-3-[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-ethylidene-4-hydroxypyrrol-2-one