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CHEBI:209817 - Penerpene C

ChEBI IDCHEBI:209817
ChEBI NamePenerpene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21NO4
Net Charge0
Average Mass363.413
Monoisotopic Mass363.14706
SMILESC[C@]12CCC(=O)C3=C1[C@](O)(C[C@H]1Cc4c(nc5ccccc45)[C@@]12C)OC3=O
InChIInChI=1S/C22H21NO4/c1-20-8-7-15(24)16-17(20)22(26,27-19(16)25)10-11-9-13-12-5-3-4-6-14(12)23-18(13)21(11,20)2/h3-6,11,23,26H,7-10H2,1-2H3/t11-,20+,21-,22+/m1/s1
InChIKeyZZGRSUSNBFYZJJ-GODKULTPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31188002)
ChEBI Ontology
Outgoing Relation(s)
Penerpene C (CHEBI:209817) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,2S,13R,15S)-15-hydroxy-1,2-dimethyl-16-oxa-4-azahexacyclo[13.6.1.02,13.03,11.05,10.018,22]docosa-3(11),5,7,9,18(22)-pentaene-17,19-dione
Manual XrefsDatabases
76003787ChemSpider