12305517 CDK 0409211651 36 40 0 0 0 0 0 0 0 0999 V2000 2.0085 -2.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8863 2.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6903 3.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5945 -1.1652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9084 -0.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1877 -1.1707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2804 -0.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1813 -1.9957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6072 -1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2804 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 -2.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 0.4464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7061 0.0394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9084 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 -0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 -1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5945 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -2.0014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1938 -0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5514 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9687 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4538 0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 1.7467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4538 1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 2.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0943 2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4916 -0.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -2.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 2 33 1 0 0 0 0 3 33 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 1 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 6 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 1 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 6 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 6 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 20 2 0 0 0 0 12 21 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 36 1 1 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 14 31 1 1 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 17 23 1 0 0 0 0 21 23 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 6 0 0 0 27 33 1 0 0 0 0 M END > CHEBI:168602 > 11-Deoxoglycyrrhetinic acid > 2 > (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid > C30H48O3 > 456.711 > 456.36035 > 0 > O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@](C5)(C)C(O)=O)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C > InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1 > JZFSMVXQUWRSIW-BTJIZOSBSA-N $$$$