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CHEBI:205602 - Penicimutamide B

ChEBI IDCHEBI:205602
ChEBI NamePenicimutamide B
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O3
Net Charge0
Average Mass367.449
Monoisotopic Mass367.18959
SMILESCC1(C)C2=Nc3ccccc3[C@@]23C[C@]2(NC(=O)O3)[C@@H]1C[C@H]1CCCN1[C@@H]2O
InChIInChI=1S/C21H25N3O3/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/h3-4,7-8,12,15,17,25H,5-6,9-11H2,1-2H3,(H,23,26)/t12-,15-,17-,20+,21+/m1/s1
InChIKeyVJFXOWNUUNFJBE-UUQARXCUSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - DOI (10.1039/c6ra14904a)
ChEBI Ontology
Outgoing Relation(s)
Penicimutamide B (CHEBI:205602) is a organic heterohexacyclic compound (CHEBI:51914)
IUPAC Name 
(1S,11R,13R,18R,19S)-18-hydroxy-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
60596824ChemSpider