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Catalog | BBC7139642 |
CAS | 7139-64-2 |
Synonyms | 1-O-p-Coumaroylglucose |
IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
Molecular Weight | 326.3 |
Molecular Formula | C15H18O8 |
Canonical SMILES | C1=CC(=CC=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
InChI | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1 |
InChI Key | DSNCQKUYZOSARM-QVLXMGEUSA-N |
Purity | 98% |
Appearance | Solid |
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