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CHEBI:225069 - Asperophiobolin B

ChEBI IDCHEBI:225069
ChEBI NameAsperophiobolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO3
Net Charge0
Average Mass397.559
Monoisotopic Mass397.26169
SMILESCC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4/C(=C\C=C12)C(=O)N[C@]4(O)C[C@@]3(C)O
InChIInChI=1S/C25H35NO3/c1-15(2)7-6-8-16(3)17-11-12-23(4)13-20-21-18(9-10-19(17)23)22(27)26-25(21,29)14-24(20,5)28/h6-10,16-17,20-21,28-29H,11-14H2,1-5H3,(H,26,27)/b8-6-,18-9+,19-10?/t16-,17+,20-,21-,23+,24+,25-/m0/s1
InChIKeyXLWSRBGCDBHJIY-OAAWIFEUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin B (CHEBI:225069) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,6R,9E,13S,15R,16R)-13,15-dihydroxy-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