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CHEBI:91944 - 6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid

ChEBI IDCHEBI:91944
ChEBI Name6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid
Stars
DownloadsMolfile
FormulaC22H23ClO5
Net Charge0
Average Mass402.874
Monoisotopic Mass402.12340
SMILESO=C(O)CCC=CCC1COC(c2ccccc2Cl)OC1c1ccccc1O
InChIInChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)
InChIKeyWHUIENZXNGAHQI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid (CHEBI:91944) is a medium-chain fatty acid (CHEBI:59554)
Manual XrefsDatabases
LSM-1887LINCS