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CHEBI:225064 - Asperophiobolin A

ChEBI IDCHEBI:225064
ChEBI NameAsperophiobolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO3
Net Charge0
Average Mass411.586
Monoisotopic Mass411.27734
SMILESCO[C@]12C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)/C4=C/C=C(/C(=O)N1)[C@@H]32
InChIInChI=1S/C26H37NO3/c1-16(2)8-7-9-17(3)18-12-13-24(4)14-21-22-19(10-11-20(18)24)23(28)27-26(22,30-6)15-25(21,5)29/h7-11,17-18,21-22,29H,12-15H2,1-6H3,(H,27,28)/b9-7-,19-10+,20-11-/t17-,18+,21-,22-,24+,25+,26-/m0/s1
InChIKeyIEOHVPIKTTWVQR-DEDHROECSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin A (CHEBI:225064) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,6R,7Z,9E,13S,15R,16R)-15-hydroxy-13-methoxy-3,15-dimethyl-6-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-12-azatetracyclo[8.5.1.03,7.013,16]hexadeca-7,9-dien-11-one
Manual XrefsDatabases
77429703ChemSpider