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CHEBI:190061 - Artonin Q

ChEBI IDCHEBI:190061
ChEBI NameArtonin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30O8
Net Charge0
Average Mass530.573
Monoisotopic Mass530.19407
SMILESC=C(C)c1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c2c1C(O)(C(=O)OC)CC2=O)OC(C)(C)C=C4
InChIInChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3
InChIKeyRYPVESRWZADKJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Artonin Q (CHEBI:190061) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 7,14-dihydroxy-18,18-dimethyl-21-(3-methylbut-2-enyl)-5,12-dioxo-9-prop-1-en-2-yl-2,19-dioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),3,8,10,14,16,20-heptaene-7-carboxylate
Manual XrefsDatabases
HMDB0041124HMDB
35015109ChemSpider