basic_info |
|
| Product_Name： | XANTHININ |
| CAS： | 153483-31-9 |
| EnglishSynonyms： | XANTHININ |
| pro_mdlNumber： | MFCD04112796 |
| pro_acceptors： | 5 |
| pro_donors： | 0 |
| pro_smile： | CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChi： | InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3 |
| InChiKey： | InChIKey=DPSCQKGSAHTWSP-UHFFFAOYSA-N |
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