CHEBI:221158 - Brevicompanine F

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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 Brevicompanine F
ChEBI ID CHEBI:221158
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H35N3O3
Net Charge 0
Average Mass 437.584
Monoisotopic Mass 437.26784
InChI InChI=1S/C26H35N3O3/c1-7-11-21(30)28-19-13-10-9-12-17(19)26(25(5,6)8-2)15-20-22(31)27-18(14-16(3)4)23(32)29(20)24(26)28/h8-10,12-13,16,18,20,24H,2,7,11,14-15H2,1,3-6H3,(H,27,31)/t18-,20-,24-,26+/m0/s1
InChIKey JIILGMDGBROFNV-IHJBEOSKSA-N
SMILES O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1CC(C)C)C(=O)CCC
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Brevicompanine F (CHEBI:221158) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1R,4S,7S,9R)-16-butanoyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
78438218 ChemSpider
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