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CHEBI:192239 - Thymophthalein

Default Structure
ChEBI IDCHEBI:192239
ChEBI NameThymophthalein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O4
Net Charge0
Average Mass430.544
Monoisotopic Mass430.21441
SMILESCc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21
InChIInChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
InChIKeyLDKDGDIWEUUXSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Thymophthalein (CHEBI:192239) is a terpene lactone (CHEBI:37668)
IUPAC Name 
3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzouran-1-one
Manual XrefsDatabases
29054ChemSpider
Registry NumbersSources
CAS:125-20-2ChemIDplus