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CHEBI:226971 - 6_,9_-dihydroxy-14-p-nitrobenzoylcinnamolide

ChEBI IDCHEBI:226971
ChEBI Name6_,9_-dihydroxy-14-p-nitrobenzoylcinnamolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO8
Net Charge0
Average Mass431.441
Monoisotopic Mass431.15802
SMILESC[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1C(=O)OC[C@@]12O
InChIInChI=1S/C22H25NO8/c1-20(11-30-18(25)13-4-6-14(7-5-13)23(28)29)8-3-9-21(2)17(20)16(24)10-15-19(26)31-12-22(15,21)27/h4-7,10,16-17,24,27H,3,8-9,11-12H2,1-2H3/t16-,17+,20-,21+,22-/m1/s1
InChIKeySXOSXJVAEAFKDC-PNBTUHDLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - DOI (10.1039/c3md00371j)
ChEBI Ontology
Outgoing Relation(s)
6_,9_-dihydroxy-14-p-nitrobenzoylcinnamolide (CHEBI:226971) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,6S,9aS,9bS)-5,9b-dihydroxy-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-6-yl]methyl 4-nitrobenzoate
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30990716ChemSpider