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CHEBI:169872 - Garciduol A

ChEBI IDCHEBI:169872
ChEBI NameGarciduol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H18O9
Net Charge0
Average Mass486.432
Monoisotopic Mass486.09508
SMILESCOc1cc(O)c(C(=O)c2ccccc2)c(O)c1-c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O
InChIInChI=1S/C27H18O9/c1-35-18-11-16(29)20(22(31)12-6-3-2-4-7-12)25(34)19(18)14-10-17(30)27-21(24(14)33)23(32)13-8-5-9-15(28)26(13)36-27/h2-11,28-30,33-34H,1H3
InChIKeyRIPCRCQAUIWJEL-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)
Garciduol A (CHEBI:169872) is a xanthones (CHEBI:51149)
IUPAC Name 
2-(3-benzoyl-2,4-dihydroxy-6-methoxyphenyl)-1,4,5-trihydroxyxanthen-9-one
Manual XrefsDatabases
30777564ChemSpider
HMDB0041380HMDB