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CHEBI:206997 - Asporyzin C

ChEBI IDCHEBI:206997
ChEBI NameAsporyzin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO2
Net Charge0
Average Mass421.625
Monoisotopic Mass421.29808
SMILESCC(C)(O)/C=C/C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C
InChIInChI=1S/C28H39NO2/c1-25(2,31)14-8-15-26(3)22-12-11-18-17-20-19-9-6-7-10-21(19)29-24(20)28(18,5)27(22,4)16-13-23(26)30/h6-10,14,18,22-23,29-31H,11-13,15-17H2,1-5H3/b14-8+/t18-,22-,23-,26-,27-,28+/m0/s1
InChIKeyUCZDOMMSHDUFIK-TWQPBVKTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (20797856)
ChEBI Ontology
Outgoing Relation(s)
Asporyzin C (CHEBI:206997) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,12S,15R,16S,17S,20S)-16-[(E)-4-hydroxy-4-methylpent-2-enyl]-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-ol
Manual XrefsDatabases
26367350ChemSpider