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CHEBI:205601 - Penicimutamide A

ChEBI IDCHEBI:205601
ChEBI NamePenicimutamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O3
Net Charge0
Average Mass365.433
Monoisotopic Mass365.17394
SMILESCC1(C)C2=Nc3ccccc3[C@@]23C[C@@]2(NC(=O)O3)C(=O)N3CCC[C@@H]3C[C@H]12
InChIInChI=1S/C21H23N3O3/c1-19(2)15-10-12-6-5-9-24(12)17(25)20(15)11-21(27-18(26)23-20)13-7-3-4-8-14(13)22-16(19)21/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H,23,26)/t12-,15-,20+,21+/m1/s1
InChIKeyKPUOUTYIIZSZJR-JFYPTCJSSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - DOI (10.1039/c6ra14904a)
ChEBI Ontology
Outgoing Relation(s)
Penicimutamide A (CHEBI:205601) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1S,11R,13R,19S)-10,10-dimethyl-22-oxa-8,17,20-triazahexacyclo[17.3.1.01,9.02,7.011,19.013,17]tricosa-2,4,6,8-tetraene-18,21-dione
Manual XrefsDatabases
60596823ChemSpider