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CHEBI:177743 - aspoquinolone A

ChEBI IDCHEBI:177743
ChEBI Nameaspoquinolone A
Stars
Last Modified7 October 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO6
Net Charge0
Average Mass465.546
Monoisotopic Mass465.21514
SMILES[H][C@]12C[C@@]1([H])C(C)(C)O[C@]2(C)/C=C/c1ccc2c(c1O)[C@](O)(c1ccc(OC)cc1)[C@@H](OC)C(=O)N2
InChIInChI=1S/C27H31NO6/c1-25(2)18-14-19(18)26(3,34-25)13-12-15-6-11-20-21(22(15)29)27(31,23(33-5)24(30)28-20)16-7-9-17(32-4)10-8-16/h6-13,18-19,23,29,31H,14H2,1-5H3,(H,28,30)/b13-12+/t18-,19+,23+,26-,27-/m1/s1
InChIKeyAISVMTZASACEBH-RSVMIURYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
aspoquinolone A (CHEBI:177743) is a quinolines (CHEBI:26513)
IUPAC Name 
(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-[(1S,2R,5R)-2,4,4-trimethyl-3-oxabicyclo[3.1.0]hexan-2-yl]ethenyl]-1,3-dihydroquinolin-2-one
UniProt Name  Source
aspoquinolone AUniProt
Manual XrefsDatabases
17243758ChemSpider