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CHEBI:169875 - Artonin J

ChEBI IDCHEBI:169875
ChEBI NameArtonin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O7
Net Charge0
Average Mass436.460
Monoisotopic Mass436.15220
SMILESCC(C)=CCc1c(O)c2c3c(c1O)-c1oc4cc(O)cc(O)c4c(=O)c1CC3C(C)(C)O2
InChIInChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3
InChIKeyWQIPFMCXBWXUAV-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)
Artonin J (CHEBI:169875) is a xanthones (CHEBI:51149)
IUPAC Name 
6,8,17,19-tetrahydroxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
Manual XrefsDatabases
LMPK12111522LIPID MAPS
24844323ChemSpider
HMDB0040675HMDB