CHEBI:220654 - Chaetolivacine A

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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 Chaetolivacine A
ChEBI ID CHEBI:220654
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H35NO2
Net Charge 0
Average Mass 429.604
Monoisotopic Mass 429.26678
InChI InChI=1S/C29H35NO2/c1-6-19(3)25-20(4)17-29(5)16-18(2)12-13-24(29)26(25)27(31)23-15-22(30-28(23)32)14-21-10-8-7-9-11-21/h6-11,14-15,17-18,24-26H,12-13,16H2,1-5H3,(H,30,32)/b19-6+,22-14-/t18-,24+,25-,26+,29+/m1/s1
InChIKey NDYMFLJVSWDWNK-BLJNRIBASA-N
SMILES O=C1N/C(=C\C2=CC=CC=C2)/C=C1C(=O)[C@@H]3[C@@H](C(=C[C@]4([C@H]3CC[C@H](C4)C)C)C)/C(=C/C)/C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Chaetolivacine A (CHEBI:220654) is a diterpenoid (CHEBI:23849)