Mrv1652304282211462D 23 24 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -3.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 -2.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 1 0 0 0 7 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 14 17 1 1 0 0 0 14 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 1 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 3 23 1 6 0 0 0 M END > NP0065570 > NP-MRD > C[C@@](O)(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)C=C > InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1 > LMODNMXJBXUOQF-ZRSLWSEBSA-N > C20H32O3 > 320.473 > 320.23514489 > 3 > 55 > 37.05004251294947 > 1 > 2 > 0 > 1 > (1S,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid > 4.19 > 4.496112201999999 > -4.95 > 0 > 2 > -1 > 18.327628376055088 > 4.772879977717908 > -1.3432957089214317 > 57.53 > 92.79549999999998 > 5 > 1 > 3.58e-03 g/l > (1S,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid > 0 > NP0065570 > 13R-Hydroxy-8(17),14-labdadien-19-oic acid $$$$