trans-5-O-Caffeoyl-D-quinate
InChI: InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
InChIKey: InChIKey=CWVRJTMFETXNAD-NXLLHMKUBY
SMILES: [H][C@]1(O)[C@H](O)C[C@@](O)(C[C@H]1OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O
Names:
trans-5-O-Caffeoyl-D-quinate
trans-5-O-caffeoyl-D-quinate
trans-5-O-caffeoyl-D-quinic acid
(1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
Registries:
PubChem CID 5280633
ChEBI 16384
Kegg C03908
PubChem ID 6638
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