Mrv2104 03092315262D 25 27 0 0 1 0 999 V2000 1.1157 -2.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -1.8507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3475 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.5527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1875 -0.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 0.2095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8603 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 -0.5527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6934 -0.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -1.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8300 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -0.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8766 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6878 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -2.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 -1.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8073 -2.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 23 22 1 0 0 0 0 5 23 1 0 0 0 0 23 2 1 0 0 0 0 23 24 1 6 0 0 0 4 25 2 0 0 0 0 M END > NP0333514 > NP-MRD > [H][C@@]12C[C@@]3(C)CC[C@@H](C(C)=C)[C@]3([H])CC[C@@](C)(O)[C@]1([H])C(=O)C[C@@H]2C > InChI=1S/C20H32O2/c1-12(2)14-6-8-19(4)11-15-13(3)10-17(21)18(15)20(5,22)9-7-16(14)19/h13-16,18,22H,1,6-11H2,2-5H3/t13-,14-,15-,16-,18-,19+,20+/m0/s1 > KLPIBWVCMVXXON-BSIBEFJDSA-N > C20H32O2 > 304.474 > 304.24023027 > 2 > 54 > 36.20364296696337 > 1 > 1 > 0 > 1 > (1R,3S,4S,7R,8R,11S,12R)-8-hydroxy-1,4,8-trimethyl-12-(prop-1-en-2-yl)tricyclo[9.3.0.0^{3,7}]tetradecan-6-one > 4.050853551 > 0 > 3 > 0 > 14.601210013047512 > -2.973230740293017 > 37.3 > 89.92039999999999 > 1 > 1 > (1R,3S,4S,7R,8R,11S,12R)-8-hydroxy-1,4,8-trimethyl-12-(prop-1-en-2-yl)tricyclo[9.3.0.0^{3,7}]tetradecan-6-one > 1 > NP0333514 > Myrothec-15(17)-en-7-ol-5-on $$$$