EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209823 - Penerpene D

ChEBI IDCHEBI:209823
ChEBI NamePenerpene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO3
Net Charge0
Average Mass363.457
Monoisotopic Mass363.18344
SMILESC[C@]12CC[C@@H]3OC(=O)C=C3[C@]1(O)CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C
InChIInChI=1S/C23H25NO3/c1-21-9-8-18-16(12-19(25)27-18)23(21,26)10-7-13-11-15-14-5-3-4-6-17(14)24-20(15)22(13,21)2/h3-6,12-13,18,24,26H,7-11H2,1-2H3/t13-,18-,21+,22+,23+/m0/s1
InChIKeyNFTGNVPOAXTQOU-OSJOOWHZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31188002)
ChEBI Ontology
Outgoing Relation(s)
Penerpene D (CHEBI:209823) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2R,5S,10S,13S)-10-hydroxy-1,2-dimethyl-6-oxa-22-azahexacyclo[11.10.0.02,10.05,9.015,23.016,21]tricosa-8,15(23),16,18,20-pentaen-7-one
Manual XrefsDatabases
76003788ChemSpider