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

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ChEBI Name 6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid
ChEBI ID CHEBI:91944
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H23ClO5
Net Charge 0
Average Mass 402.869
Monoisotopic Mass 402.12340
InChI InChI=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)
InChIKey WHUIENZXNGAHQI-UHFFFAOYSA-N
SMILES C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)CC=CCCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-1887 LINCS
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