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CHEBI:192013 - 6-Hydroxy-R-acenocoumarol

ChEBI IDCHEBI:192013
ChEBI Name6-Hydroxy-R-acenocoumarol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H15NO7
Net Charge0
Average Mass369.329
Monoisotopic Mass369.08485
SMILESCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2cc(O)ccc2oc1=O
InChIInChI=1S/C19H15NO7/c1-10(21)8-14(11-2-4-12(5-3-11)20(25)26)17-18(23)15-9-13(22)6-7-16(15)27-19(17)24/h2-7,9,14,22-23H,8H2,1H3/t14-/m0/s1
InChIKeySUHPKJKJROTWOQ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxy-R-acenocoumarol (CHEBI:192013) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4,6-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
Manual XrefsDatabases
30778601ChemSpider
HMDB0060882HMDB