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CHEBI:211369 - Penijanthine D

ChEBI IDCHEBI:211369
ChEBI NamePenijanthine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H43NO4
Net Charge0
Average Mass481.677
Monoisotopic Mass481.31921
SMILESCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3Cc4c(nc5ccccc45)[C@@]32C)[C@]1(C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C30H43NO4/c1-18(32)35-25-14-16-29(5)23(28(25,4)15-13-24(33)27(2,3)34)12-11-19-17-21-20-9-7-8-10-22(20)31-26(21)30(19,29)6/h7-10,19,23-25,31,33-34H,11-17H2,1-6H3/t19-,23-,24+,25-,28-,29-,30+/m0/s1
InChIKeyHKSUTAKOQIWUKO-WSTYBCKUSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (30891440)
ChEBI Ontology
Outgoing Relation(s)
Penijanthine D (CHEBI:211369) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,12S,15R,16S,17S,20S)-16-[(3R)-3,4-dihydroxy-4-methylpentyl]-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl] acetate
Manual XrefsDatabases
71266929ChemSpider