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CHEBI:201589 - 27-O-methylasporyzin C

ChEBI IDCHEBI:201589
ChEBI Name27-O-methylasporyzin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO2
Net Charge0
Average Mass435.652
Monoisotopic Mass435.31373
SMILESCOC(C)(C)C=CC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C
InChIInChI=1S/C29H41NO2/c1-26(2,32-6)15-9-16-27(3)23-13-12-19-18-21-20-10-7-8-11-22(20)30-25(21)29(19,5)28(23,4)17-14-24(27)31/h7-11,15,19,23-24,30-31H,12-14,16-18H2,1-6H3/t19-,23-,24-,27-,28-,29+/m0/s1
InChIKeyTXDUYXUPRRYHRW-SESJUCHGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (24471526)
ChEBI Ontology
Outgoing Relation(s)
27-O-methylasporyzin C (CHEBI:201589) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,12S,15R,16S,17S,20S)-16-(4-methoxy-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