Mrv1652304282210362D 18 20 0 0 1 0 999 V2000 0.1483 0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.3961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8947 -0.7175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2353 -0.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0057 0.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4319 0.4030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9566 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 0.1794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7634 -0.5979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5022 -0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 0.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 6 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 5 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 6 0 0 0 14 15 1 0 0 0 0 11 16 1 1 0 0 0 8 17 1 6 0 0 0 2 18 1 0 0 0 0 M END > NP0064358 > NP-MRD > CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CC[C@@H](O)[C@]3(C)CO > InChI=1S/C15H22O3/c1-8-6-9(17)12-13-11(8)14(12,2)5-4-10(18)15(13,3)7-16/h6,10-13,16,18H,4-5,7H2,1-3H3/t10-,11+,12-,13+,14-,15+/m1/s1 > LOWOXPPFACYKFB-DXUDUQDWSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 27.70869928677782 > 1 > 2 > 0 > 1 > (1R,2R,5R,6S,7S,8R)-5-hydroxy-6-(hydroxymethyl)-2,6,11-trimethyltricyclo[5.4.0.0^{2,8}]undec-10-en-9-one > 0.92 > 1.0260705656666664 > -2.10 > 0 > 3 > 0 > 15.268994838371281 > 14.484601050758773 > -2.7860209694815525 > 57.53 > 69.6286 > 1 > 1 > 2.00e+00 g/l > (1R,2R,5R,6S,7S,8R)-5-hydroxy-6-(hydroxymethyl)-2,6,11-trimethyltricyclo[5.4.0.0^{2,8}]undec-10-en-9-one > 0 > NP0064358 > 10,12-Dihydroxy-3-longipinen-5-one $$$$