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CHEBI:210269 - Neothamnolic acid

ChEBI IDCHEBI:210269
ChEBI NameNeothamnolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O10
Net Charge0
Average Mass404.327
Monoisotopic Mass404.07435
SMILESCOc1cc(C)c(C(=O)Oc2c(O)c(C)c(O)c3c2COC3=O)c(O)c1C(=O)O
InChIInChI=1S/C19H16O10/c1-6-4-9(27-3)12(17(23)24)15(22)10(6)19(26)29-16-8-5-28-18(25)11(8)13(20)7(2)14(16)21/h4,20-22H,5H2,1-3H3,(H,23,24)
InChIKeyOLOXJZZFUNKHLC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Siphula (ncbitaxon:50927) - DOI (10.1071/ch99085)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Neothamnolic acid (CHEBI:210269) is a phthalate ester (CHEBI:35484)
IUPAC Name 
3-[(5,7-dihydroxy-6-methyl-1-oxo-3H-2-benzouran-4-yl)oxycarbonyl]-2-hydroxy-6-methoxy-4-methylbenzoic acid
Manual XrefsDatabases
78434848ChemSpider