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CHEBI:217638 - Alternaphenol A

ChEBI IDCHEBI:217638
ChEBI NameAlternaphenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22O12
Net Charge0
Average Mass598.516
Monoisotopic Mass598.11113
SMILESCOC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C2=C(c3c(O)cc(C(=O)OC)cc3O)c3c(O)cccc3C2=O)c(O)c1
InChIInChI=1S/C32H22O12/c1-43-31(41)13-9-19(35)26(20(36)10-13)28-23-16(6-4-7-17(23)33)29(39)25(28)15-5-3-8-18(34)24(15)30(40)27-21(37)11-14(12-22(27)38)32(42)44-2/h3-12,33-38H,1-2H3
InChIKeyXPKYOQMAQBMFLX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1016/j.tetlet.2017.06.071)
ChEBI Ontology
Outgoing Relation(s)
Alternaphenol A (CHEBI:217638) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 4-[2-[2-(2,6-dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxyphenyl]-7-hydroxy-3-oxoinden-1-yl]-3,5-dihydroxybenzoate
Manual XrefsDatabases
78435390ChemSpider