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CHEBI:205112 - Lusitanic acid

ChEBI IDCHEBI:205112
ChEBI NameLusitanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O10
Net Charge0
Average Mass416.338
Monoisotopic Mass416.07435
SMILESCOC(=O)c1c(OC)cc(C)c2c1Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O
InChIInChI=1S/C20H16O10/c1-6-5-8(26-3)10(17(22)27-4)15-9(6)18(23)29-14-7(2)13(21)11-12(16(14)28-15)20(25)30-19(11)24/h5,20-21,25H,1-4H3/t20-/m0/s1
InChIKeyMQDDEDPDQWWJHK-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Xanthoparmelia verrucigera (ncbitaxon:286384) - DOI (10.1071/ch00121)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Lusitanic acid (CHEBI:205112) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl 13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carboxylate
Manual XrefsDatabases
78435464ChemSpider