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Caffeic Acid 4-β-D-Glucuronide , CAS No.1093679-71-0
Basic Description
Synonyms | Caffeic acid 4-O-glucuronide|1093679-71-0|(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|CAFFEIC ACID 4-BETA-D-GLUCURONIDE|Caffeic Acid 4-|A-D-Glucuronide|Caffeic_acid_4B_Glucuronide|Caffeic Acid 4-? |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
INCHI | InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1 |
InChi Key | LTGOIJNQWZWJRF-ZYZFHZPYSA-N |
Canonical SMILES | C1=CC(=C(C=C1C=CC(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O |
Isomeric SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
PubChem CID | 25171780 |
Molecular Weight | 356.28 |
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