0 0 0 0 0 0 0 0 0
10.4377 10.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7188 12.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2252 11.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3019 10.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 10.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8095 12.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3750 11.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1052 12.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2698 14.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 15.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7043 14.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9742 13.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3028 12.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7885 14.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2243 8.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2372 8.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.5969 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5969 10.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2372 11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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15 16 1 0 0 0 0
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17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
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52 53 1 0 0 0 0
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58 11 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 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。
重楼皂苷 II Smile 编码: O1[C@]2(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])O2)[C@@]([H])(C([H])([H])[H])[C@@]2([H])[C@]1([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])[C@]([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])O[C@@]1([H])C([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O[H])O1)O[H])O[H])OC1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H]
重楼皂苷 II InChi 编码: 1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-36(52)38(59-39-35(51)33(49)31(47)21(3)54-39)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36?,37-,38-,39?,40+,41-,42+,43+,44-/m1/s1
重楼皂苷 II InChiKey 编码: AWKXNOOUWFJCMU-QXPPBLGMSA-N
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