Mrv1652304292204292D 23 25 0 0 1 0 999 V2000 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 1.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 2.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 1 0 0 0 7 8 2 0 0 0 0 5 9 1 6 0 0 0 3 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 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 17 21 1 1 0 0 0 13 22 1 6 0 0 0 3 23 1 6 0 0 0 M END > NP0081477 > NP-MRD > C[C@@]1(CC[C@@H]2[C@@]3(C)CCC[C@@](C)([C@@H]3CC[C@@]2(O)C1)C(O)=O)C=C > InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 > PJBQQIKTIGUTST-PDURBABISA-N > C20H32O3 > 320.473 > 320.23514489 > 3 > 55 > 37.081364425888694 > 1 > 2 > 0 > 1 > (1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-tetradecahydrophenanthrene-1-carboxylic acid > 3.76 > 4.235510565333332 > -5.17 > 0 > 3 > -1 > 4.704015057411683 > 0.04924500158978817 > 57.53 > 91.0899 > 2 > 1 > 2.16e-03 g/l > (1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-decahydrophenanthrene-1-carboxylic acid > 0 > NP0081477 > Toonaciliatin M $$$$