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CHEBI:215011 - Aspoquinolone E

ChEBI IDCHEBI:215011
ChEBI NameAspoquinolone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO5
Net Charge0
Average Mass435.520
Monoisotopic Mass435.20457
SMILESCO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)OC(C)(C)[C@@H]4C[C@@H]43)c(O)c2[C@@]1(O)c1ccccc1
InChIInChI=1S/C26H29NO5/c1-24(2)17-14-18(17)25(3,32-24)13-12-15-10-11-19-20(21(15)28)26(30,16-8-6-5-7-9-16)22(31-4)23(29)27-19/h5-13,17-18,22,28,30H,14H2,1-4H3,(H,27,29)/b13-12+/t17-,18+,22-,25-,26+/m1/s1
InChIKeyCXUSXVFGKANFQF-KPSSMOCSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (31707275)
ChEBI Ontology
Outgoing Relation(s)
Aspoquinolone E (CHEBI:215011) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-3-methoxy-4-phenyl-6-[(E)-2-[(1S,2R,5R)-2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl]ethenyl]-1,3-dihydroquinolin-2-one