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CHEBI:226665 - Fischerin

ChEBI IDCHEBI:226665
ChEBI NameFischerin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO7
Net Charge0
Average Mass431.485
Monoisotopic Mass431.19440
SMILESC[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C(=O)c1c(O)c([C@@]2(O)CC[C@@H](O)[C@H]3O[C@H]32)cn(O)c1=O
InChIInChI=1S/C23H29NO7/c1-11-6-7-12-4-2-3-5-13(12)16(11)19(27)17-18(26)14(10-24(30)22(17)28)23(29)9-8-15(25)20-21(23)31-20/h6-7,10-13,15-16,20-21,25-26,29-30H,2-5,8-9H2,1H3/t11-,12+,13+,15+,16+,20+,21+,23-/m0/s1
InChIKeyLNTGLCDRWWFPDI-PTMQYTLRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri var. fischeri (ncbitaxon:1590842) - DOI (10.1021/np50098a010)
ChEBI Ontology
Outgoing Relation(s)
Fischerin (CHEBI:226665) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2S,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one