Name | Dopamine Impurity 113 |
Synonyms | (2S,3S,4S,5R,6S)-6-[4-(carboxymethyl)-2-methoxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid |
CAS | 36204-73-6 |
InChI | InChI=1S/C15H18O10/c1-23-8-4-6(5-9(16)17)2-3-7(8)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,10-13,15,18-20H,5H2,1H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1 |
InChIKey | CXBMXYMXMRBMJY-DKBOKBLXSA-N |
Canonical Smiles | COC1=C(C=CC(=C1)CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O |
Isomers Smiles | COC1=C(C=CC(=C1)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Molecular Formula | C15H18O10 |
Molar Mass | 358.30 |