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CHEBI:205603 - Penicimutamide C

ChEBI IDCHEBI:205603
ChEBI NamePenicimutamide C
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O2
Net Charge0
Average Mass351.450
Monoisotopic Mass351.19468
SMILESCC1(C)C2=Nc3ccccc3[C@@]23C[C@]2(CN4CCC[C@@H]4C[C@H]12)NC(=O)O3
InChIInChI=1S/C21H25N3O2/c1-19(2)16-10-13-6-5-9-24(13)12-20(16)11-21(26-18(25)23-20)14-7-3-4-8-15(14)22-17(19)21/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3,(H,23,25)/t13-,16-,20-,21+/m1/s1
InChIKeyHRECJCSQVHRITB-LOFXOBHGSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - DOI (10.1039/c6ra14904a)
ChEBI Ontology
Outgoing Relation(s)
Penicimutamide C (CHEBI:205603) is a organic heterohexacyclic compound (CHEBI:51914)
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-tetraen-21-one
Manual XrefsDatabases
60596825ChemSpider