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CHEBI:211670 - 14-Hydroxy-6beta-p-nitrobenzoylcinnamolide

ChEBI IDCHEBI:211670
ChEBI Name14-Hydroxy-6beta-p-nitrobenzoylcinnamolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO7
Net Charge0
Average Mass415.442
Monoisotopic Mass415.16310
SMILESC[C@]1(CO)CCC[C@]2(C)[C@H]3COC(=O)C3=C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]12
InChIInChI=1S/C22H25NO7/c1-21(12-24)8-3-9-22(2)16-11-29-20(26)15(16)10-17(18(21)22)30-19(25)13-4-6-14(7-5-13)23(27)28/h4-7,10,16-18,24H,3,8-9,11-12H2,1-2H3/t16-,17+,18-,21+,22+/m0/s1
InChIKeyHETGKXPYEMRZHE-PEVTXAFISA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/s0040-4020(97)10396-9)
ChEBI Ontology
Outgoing Relation(s)
14-Hydroxy-6beta-p-nitrobenzoylcinnamolide (CHEBI:211670) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aR,6S,9aR,9bR)-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-5-yl] 4-nitrobenzoate
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