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CHEBI:168993 - 5-(acetyloxy)-4,14-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate

ChEBI IDCHEBI:168993
ChEBI Name5-(acetyloxy)-4,14-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H12O9
Net Charge0
Average Mass384.296
Monoisotopic Mass384.04813
SMILESCC(=O)Oc1cc2oc(=O)c3c4cc(OC(C)=O)c(O)cc4oc3c2cc1O
InChIInChI=1S/C19H12O9/c1-7(20)25-15-4-9-13(5-12(15)23)27-18-10-3-11(22)16(26-8(2)21)6-14(10)28-19(24)17(9)18/h3-6,22-23H,1-2H3
InChIKeyBFLUMGLCOZIXRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5-(acetyloxy)-4,14-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate (CHEBI:168993) is a coumestans (CHEBI:72577)
IUPAC Name 
(3-acetyloxy-2,9-dihydroxy-6-oxo-[1]benzouro[3,2-c]chromen-8-yl) acetate
Manual XrefsDatabases
HMDB0128412HMDB
74852206ChemSpider