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Dihydro caffeic acid 3-O-β-D-glucuronide , CAS No.1187945-71-6
Basic Description
Synonyms | 1187945-71-6|Dihydrocaffeic acid 3-O-glucuronide|(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|DIHYDRO CAFFEIC ACID 3-O-BETA-D-GLUCURONIDE|Dihydro Caffeic Acid 3-O-|A-D-Glucuronide|SCHEMBL22501546|DTXSID5 |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
INCHI | InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1 |
InChi Key | AELQNMHOLDHBFA-DKBOKBLXSA-N |
Canonical SMILES | C1=CC(=C(C=C1CCC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O |
Isomeric SMILES | C1=CC(=C(C=C1CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O |
PubChem CID | 49844972 |
Molecular Weight | 358.3 |
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