basic_info |
|
| Product_Name： | MONOACEREIN |
| CAS： | 875535-35-6 |
| EnglishSynonyms： | 5-ACETYL RHEIN ; MONOACEREIN |
| pro_mdlNumber： | MFCD21363570 |
| pro_acceptors： | 7 |
| pro_donors： | 2 |
| pro_smile： | CC(=O)Oc1cccc2c1C(=O)c3c(cc(cc3O)C(=O)O)C2=O |
| InChi： | InChI=1S/C17H10O7/c1-7(18)24-12-4-2-3-9-14(12)16(21)13-10(15(9)20)5-8(17(22)23)6-11(13)19/h2-6,19H,1H3,(H,22,23) |
| InChiKey： | InChIKey=YBGHQNHYFJYUHT-UHFFFAOYSA-N |
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