CHEBI:220523 - Brevicompanine D

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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 D
ChEBI ID CHEBI:220523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H33N3O3
Net Charge 0
Average Mass 411.546
Monoisotopic Mass 411.25219
InChI InChI=1S/C24H33N3O3/c1-7-23(4,5)24-13-19-20(28)25-17(12-15(2)3)21(29)27(19)22(24)26(14-30-6)18-11-9-8-10-16(18)24/h7-11,15,17,19,22H,1,12-14H2,2-6H3,(H,25,28)/t17-,19-,22-,24+/m0/s1
InChIKey XKVYLKJFRXEXTN-UNBWHIKDSA-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)COC
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Brevicompanine D (CHEBI:220523) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4S,7S,9R)-16-(methoxymethyl)-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
28286641 ChemSpider
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