CHEBI:226863 - (2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid

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ChEBI Name (2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid
ChEBI ID CHEBI:226863
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H20O10
Net Charge 0
Average Mass 456.403
Monoisotopic Mass 456.10565
InChI InChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1
InChIKey VJLMRHSHSNLOGC-NOPZTHQXSA-N
SMILES O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C1=CC=C(O)C=C1)CC(=O)O)/C=C/C2=CC=C(O)C=C2
ChEBI Ontology
Outgoing (2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid (CHEBI:226863) is a cinnamate ester (CHEBI:36087)
IUPAC Name
(2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid
Manual Xrefs Databases
9844429 ChemSpider
DB08322 KEGG DRUG
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