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CHEBI:168200 - Thysanone

ChEBI IDCHEBI:168200
ChEBI NameThysanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O6
Net Charge0
Average Mass276.244
Monoisotopic Mass276.06339
SMILESC[C@H]1CC2=C(C(=O)c3c(O)cc(O)cc3C2=O)[C@H](O)O1
InChIInChI=1S/C14H12O6/c1-5-2-7-11(14(19)20-5)13(18)10-8(12(7)17)3-6(15)4-9(10)16/h3-5,14-16,19H,2H2,1H3/t5-,14+/m0/s1
InChIKeyNNXPHSFVRRTOJM-OVZGEXIGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
Thysanone (CHEBI:168200) is a benzoisochromanequinone (CHEBI:48129)
IUPAC Name 
(1R,3S)-1,7,9-trihydroxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Manual XrefsDatabases
LMPK13030001LIPID MAPS
8509107ChemSpider