basic_info |
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Product_Name: | ANISOFOLIN A |
CAS: | 83529-71-9 |
EnglishSynonyms: | ANISOFOLIN A |
pro_mdlNumber: | MFCD20274690 |
pro_acceptors: | 14 |
pro_donors: | 6 |
pro_smile: | c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)O)OC(=O)/C=C/c6ccc(cc6)O)O)O |
InChi: | InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37-,38+,39-/m1/s1 |
InChiKey: | InChIKey=LHMKSPOTCLVAKR-AVMIHGAISA-N |
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