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CHEBI:207284 - Peristictic acid

ChEBI IDCHEBI:207284
ChEBI NamePeristictic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O10
Net Charge0
Average Mass402.311
Monoisotopic Mass402.05870
SMILESCOc1cc(C)c2c(c1C(=O)O)Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O
InChIInChI=1S/C19H14O10/c1-5-4-7(26-3)9(16(21)22)14-8(5)17(23)28-13-6(2)12(20)10-11(15(13)27-14)19(25)29-18(10)24/h4,19-20,25H,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyHIPOOOQGJTVSMG-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Relicina sydneyensis (ncbitaxon:299008) - 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)
Peristictic acid (CHEBI:207284) is a phthalate ester (CHEBI:35484)
IUPAC Name 
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-carboxylic acid
Manual XrefsDatabases
78435495ChemSpider