basic_info |
|
| Product_Name： | EMODIC ACID |
| CAS： | 478-45-5 |
| EnglishSynonyms： | EMODIC ACID |
| pro_mdlNumber： | MFCD01664529 |
| pro_acceptors： | 7 |
| pro_donors： | 4 |
| pro_smile： | c1c(cc(c2c1C(=O)c3cc(cc(c3C2=O)O)O)O)C(=O)O |
| InChi： | InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22) |
| InChiKey： | InChIKey=ZJXVNNSMRGTDBI-UHFFFAOYSA-N |
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