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CHEBI:212561 - Verrucofortine

ChEBI IDCHEBI:212561
ChEBI NameVerrucofortine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O3
Net Charge0
Average Mass409.530
Monoisotopic Mass409.23654
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C24H31N3O3/c1-7-23(5,6)24-13-19-20(29)25-17(12-14(2)3)21(30)27(19)22(24)26(15(4)28)18-11-9-8-10-16(18)24/h7-11,14,17,19,22H,1,12-13H2,2-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
InChIKeyBMRZKNPRSPWNNW-UNBWHIKDSA-N
Species of MetaboliteComponentSourceComments
Penicillium verrucosum (ncbitaxon:60171) - DOI (10.1021/np50055a008)
ChEBI Ontology
Outgoing Relation(s)
Verrucofortine (CHEBI:212561) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,9R)-16-acetyl-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 XrefsDatabases
106464ChemSpider