Mrv1652306242119503D 45 47 0 0 0 0 999 V2000 -4.1757 0.6596 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9838 0.0344 0.5092 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4705 -1.1739 -0.3031 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1848 -1.2701 0.3442 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1102 -2.1354 0.0012 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0801 -2.5232 -1.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -1.3834 0.5810 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1984 -1.2127 -0.3859 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8210 0.1091 0.0382 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4259 0.8350 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.1677 1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 0.9272 0.6521 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5789 0.0251 0.9187 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6165 0.1426 0.0939 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4746 0.4723 -1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 0.9285 0.6760 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9349 2.2808 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2474 1.7482 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 0.2200 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 0.4219 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -0.4045 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 -0.8711 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 -2.0312 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.2857 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -3.0884 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 -2.6824 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 -1.8250 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9385 -1.2386 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 -2.0143 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 0.2435 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 1.1229 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 1.7644 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4309 0.7981 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -0.9214 0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -0.5951 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 1.2928 1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4797 1.8463 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 0.0245 2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 1.2872 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 0.9026 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 -0.3234 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 1.0726 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 2.6818 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 2.9492 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 2.3568 -0.8111 H 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 2 1 0 0 0 0 14 4 1 0 0 0 0 13 7 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 1 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 1 0 0 0 5 25 1 1 0 0 0 6 26 1 0 0 0 0 7 27 1 1 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 1 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 1 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 M END > NP0013844 > NP-MRD > [H]O[C@@]1([H])[C@@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]2([H])[C@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]12[H] > InChI=1S/C16H28O/c1-9-6-12-14(17)11-7-15(3,4)8-13(11)16(12,5)10(9)2/h9-14,17H,6-8H2,1-5H3/t9-,10-,11-,12-,13+,14-,16+/m0/s1 > JXTINQFFOKAJPL-CVEYVTCZSA-N > C16H28O > 236.399 > 236.214015522 > 1 > 45 > 29.096316038887785 > 1 > 1 > 0 > 1 > (1S,2R,6S,7S,8R,10S,11S)-1,4,4,10,11-pentamethyltricyclo[6.3.0.0^{2,6}]undecan-7-ol > 3.45 > 3.562945697 > -4.66 > 0 > 3 > 0 > -0.5103339655627507 > 20.23 > 70.90849999999999 > 0 > 1 > 5.17e-03 g/l > (1S,2R,6S,7S,8R,10S,11S)-1,4,4,10,11-pentamethyltricyclo[6.3.0.0^{2,6}]undecan-7-ol > 1 > NP0013844 > Antrodin D $$$$