CHEBI:205112 - Lusitanic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lusitanic acid
ChEBI ID CHEBI:205112
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O10
Net Charge 0
Average Mass 416.338
Monoisotopic Mass 416.07435
InChI InChI=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
InChIKey MQDDEDPDQWWJHK-FQEVSTJZSA-N
SMILES O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)O)OC4=C1C(=CC(=C4C(=O)OC)OC)C
Metabolite of Species Details
Xanthoparmelia verrucigera (NCBI:txid286384) See: DOI
Roles Classification
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via phthalate ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
78435464 ChemSpider
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