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CHEBI:196336 - 7-Hydroxy-R-acenocoumarol

ChEBI IDCHEBI:196336
ChEBI Name7-Hydroxy-R-acenocoumarol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H15NO7
Net Charge0
Average Mass369.329
Monoisotopic Mass369.08485
SMILESCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C19H15NO7/c1-10(21)8-15(11-2-4-12(5-3-11)20(25)26)17-18(23)14-7-6-13(22)9-16(14)27-19(17)24/h2-7,9,15,22-23H,8H2,1H3/t15-/m0/s1
InChIKeyJTCREUDLEYTCAB-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-R-acenocoumarol (CHEBI:196336) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4,7-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
Manual XrefsDatabases
30778600ChemSpider
HMDB0060883HMDB