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CHEBI:209811 - Penerpene B

ChEBI IDCHEBI:209811
ChEBI NamePenerpene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28N2O3
Net Charge0
Average Mass428.532
Monoisotopic Mass428.20999
SMILESCC1(C)Oc2c(nc3c4c2C(=O)CC[C@]4(C)[C@@]2(C)c4nc5ccccc5c4C[C@@H]2C3)[C@H]1O
InChIInChI=1S/C27H28N2O3/c1-25(2)24(31)21-22(32-25)19-18(30)9-10-26(3)20(19)17(28-21)12-13-11-15-14-7-5-6-8-16(14)29-23(15)27(13,26)4/h5-8,13,24,29,31H,9-12H2,1-4H3/t13-,24-,26+,27-/m1/s1
InChIKeyNDZADURMHLAAAV-KWJMJWPUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31188002)
ChEBI Ontology
Outgoing Relation(s)
Penerpene B (CHEBI:209811) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,2S,13R,18R)-18-hydroxy-1,2,19,19-tetramethyl-20-oxa-4,16-diazaheptacyclo[13.10.1.02,13.03,11.05,10.017,21.022,26]hexacosa-3(11),5,7,9,15(26),16,21-heptaen-23-one
Manual XrefsDatabases
76003786ChemSpider