Mrv1652309122216452D 22 24 0 0 1 0 999 V2000 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 1.4084 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 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 1.4084 0.0000 C 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 0.0000 -0.0000 0.0000 C 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 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 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 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 2 22 1 0 0 0 0 M END > NP0329907 > NP-MRD > CC(C)C1=C\C2=C\C=C(C)/CCC3=C2[C@@](O)(CC(=C)C3)C1=O > InChI=1S/C20H24O2/c1-12(2)17-10-16-8-6-13(3)5-7-15-9-14(4)11-20(22,18(15)16)19(17)21/h6,8,10,12,22H,4-5,7,9,11H2,1-3H3/b13-6-,16-8-/t20-/m0/s1 > ZIVKXPOGSKSQTF-DOBJVIKBSA-N > C20H24O2 > 296.41 > 296.177630013 > 2 > 46 > 34.00028480444748 > 1 > 1 > 0 > 1 > (5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-(propan-2-yl)tricyclo[7.5.1.0^{5,15}]pentadeca-1(14),2,9(15),12-tetraen-4-one > 3.531162082 > 0 > 3 > 0 > 12.32424842574505 > -3.969173738579113 > 37.3 > 93.02639999999997 > 1 > 1 > (5S,12Z)-5-hydroxy-3-isopropyl-12-methyl-7-methylidenetricyclo[7.5.1.0^{5,15}]pentadeca-1(14),2,9(15),12-tetraen-4-one > 1 > NP0329907 > (1z,5s,12z)-5-hydroxy-3-isopropyl-12-methyl-7-methylidenetricyclo[7.5.1.0⁵,¹⁵]pentadeca-1(14),2,9(15),12-tetraen-4-one $$$$