CHEBI:192239 - Thymophthalein

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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 Thymophthalein
ChEBI ID CHEBI:192239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30O4
Net Charge 0
Average Mass 430.544
Monoisotopic Mass 430.21441
InChI InChI=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
InChIKey LDKDGDIWEUUXSH-UHFFFAOYSA-N
SMILES O1C(C=2C(=CC(O)=C(C2)C(C)C)C)(C=3C(=CC(O)=C(C3)C(C)C)C)C=4C(C1=O)=CC=CC4
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
29054 ChemSpider
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Registry Number Type Source
125-20-2 CAS Registry Number ChemIDplus