50773
Mol:
13.5966 15.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 13.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3159 14.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3159 10.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2369 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 6.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8773 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8773 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4386 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4386 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 6.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4386 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3597 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3597 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 12 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 11 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 9 27 1 1 0 0 0 27 28 1 0 0 0 0 28 5 1 0 0 0 0 28 29 1 6 0 0 0 17 30 1 1 0 0 0 31 30 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 1 6 0 0 0 44 43 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 1 0 0 0 46 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 1 0 0 0 50 52 1 0 0 0 0 52 44 1 0 0 0 0 52 53 1 6 0 0 0 42 54 1 0 0 0 0 54 55 1 1 0 0 0 54 56 1 0 0 0 0 56 38 1 0 0 0 0 56 57 1 1 0 0 0 36 58 1 0 0 0 0 58 59 1 6 0 0 0 58 60 1 0 0 0 0 60 31 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 6 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 1 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 68 69 1 1 0 0 0 68 70 1 0 0 0 0 70 62 1 0 0 0 0 70 71 1 1 0 0 0 M END
如需查看或获取完整mol文件，请关注官方微信公众号（微信搜一搜：Chem960），回复CAS号+“mol”（如回复：98-98-6 mol）免费获取。
七叶莲提取物 Smile 编码:
C[C@@H]1CC[C@@]2([C@@H](C)C3[C@H](CC4[C@]3(C)CC[C@H]3[C@H]4CC=C4[C@]3(C)CC[C@H](O[C@H]3[C@H](O[C@H]5[C@H](O)[C@H](O)C(O)[C@H](C)O5)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O[C@H]6[C@@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@H](C)O5)[C@@H](CO)O3)C4)O2)OC1
七叶莲提取物 InChi 编码:
1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3/t20-,21+,22+,23+,24+,26+,27-,28+,29?,30+,31-,32+,33+,34?,35-,36-,37+,38+,39-,40-,41+,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1
七叶莲提取物 InChiKey 编码:
OZIHYFWYFUSXIS-KORJSKJVSA-N
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