basic_info |
|
| Product_Name: | 3,5-DI-O-CAFFEOYLQUINIC ACID |
| CAS: | 89919-62-0 |
| EnglishSynonyms: | (-)-3,5-DICAFFEOYL QUINIC ACID ; 3,5-DI-O-CAFFEOYLQUINIC ACID |
| pro_mdlNumber: | MFCD16294090 |
| pro_acceptors: | 12 |
| pro_donors: | 7 |
| pro_smile: | c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)OC(=O)/C=C/c3cc(cc(c3)O)O)(C(=O)O)O)O)O |
| InChi: | InChI=1S/C25H24O12/c26-15-7-14(8-16(27)10-15)3-6-22(31)37-20-12-25(35,24(33)34)11-19(23(20)32)36-21(30)5-2-13-1-4-17(28)18(29)9-13/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b5-2+,6-3+/t19-,20-,23-,25+/m1/s1 |
| InChiKey: | InChIKey=ANQFOPPBTWJXIJ-APCOFQPJSA-N |
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