CHEBI:3594 - Chicoric acid

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ChEBI Name Chicoric acid
ChEBI ID CHEBI:3594
Stars This entity has been manually annotated by a third party.
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Formula C22H18O12
Net Charge 0
Average Mass 474.372
Monoisotopic Mass 474.080
InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
InChIKey YDDGKXBLOXEEMN-IABMMNSOSA-N
SMILES [C@H]([C@@H](OC(/C=C/C=1C=C(C(O)=CC1)O)=O)C(O)=O)(OC(/C=C/C=2C=C(C(O)=CC2)O)=O)C(O)=O
ChEBI Ontology
Outgoing Chicoric acid (CHEBI:3594) has functional parent tetracarboxylic acid (CHEBI:35742)
Chicoric acid (CHEBI:3594) is a organooxygen compound (CHEBI:36963)
Synonyms Sources
Chicoric acid KEGG COMPOUND
dicaffeoyltartaric acid ChEBI
Manual Xrefs Databases
C00002723 KNApSAcK
C10437 KEGG COMPOUND
Cichoric_acid Wikipedia
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Registry Number Type Source
70831-56-0 CAS Registry Number KEGG COMPOUND
Last Modified
03 August 2017