CHEBI:183440 - 1,3-dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate

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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 1,3-dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
ChEBI ID CHEBI:183440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O6
Net Charge 0
Average Mass 356.374
Monoisotopic Mass 356.12599
InChI InChI=1S/C20H20O6/c1-25-19(23)17-15(11-3-7-13(21)8-4-11)18(20(24)26-2)16(17)12-5-9-14(22)10-6-12/h3-10,15-18,21-22H,1-2H3
InChIKey OEWCQSJKSNWJTH-UHFFFAOYSA-N
SMILES O(C(=O)C1C(C(C1C2=CC=C(O)C=C2)C(OC)=O)C3=CC=C(O)C=C3)C
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
ChEBI Ontology
Outgoing 1,3-dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate (CHEBI:183440) is a phenols (CHEBI:33853)
IUPAC Name
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
Manual Xref Database
8144199 ChemSpider
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