Mrv1652306192118553D 41 43 0 0 0 0 999 V2000 0.4362 3.5906 -1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 2.2531 -1.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 1.5769 -3.3250 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7282 1.2441 -3.8510 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2974 0.1064 -3.0889 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7093 -0.0957 -3.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 0.3284 -1.8089 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6450 1.6519 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 -0.7063 -0.7304 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7313 -2.0113 -1.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 -0.4091 0.1963 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4171 -0.0237 -0.5399 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0798 1.5029 -0.6939 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4050 1.1303 -0.4421 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9115 -0.1347 0.3169 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8088 0.0821 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 -1.3885 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 4.2063 -2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 4.1129 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 2.2431 -4.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 0.6778 -3.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 2.1302 -3.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 0.9434 -4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.7886 -3.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 2.3361 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 1.5024 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 2.1458 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8141 -0.7627 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 -2.0954 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9897 0.3886 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -1.3103 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 -0.6088 -1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 2.0702 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 1.8550 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 0.9130 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 0.2053 2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3329 -0.7753 2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 0.9740 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 -1.3225 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -2.2811 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -1.5352 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 13 2 1 0 0 0 0 7 6 1 0 0 0 0 2 3 1 0 0 0 0 5 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 14 13 1 0 0 0 0 2 1 2 3 0 0 0 13 12 1 0 0 0 0 15 16 1 1 0 0 0 12 15 1 0 0 0 0 5 24 1 1 0 0 0 15 14 1 0 0 0 0 12 32 1 6 0 0 0 12 11 1 0 0 0 0 13 33 1 1 0 0 0 6 5 1 0 0 0 0 15 17 1 0 0 0 0 11 9 1 0 0 0 0 9 10 1 0 0 0 0 9 7 1 0 0 0 0 7 8 1 1 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 9 28 1 1 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 10 29 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 M END > NP0024585 > NP-MRD > [H]O[C@]1([H])C([H])([H])[C@]2([H])[C@@]([H])(C(=C([H])[H])C([H])([H])C([H])([H])[C@@]3([H])O[C@]13C([H])([H])[H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H24O2/c1-9-5-6-13-15(4,17-13)12(16)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12-,13-,15-/m1/s1 > FWFSLBQGEMBSLF-FTQJZPFOSA-N > C15H24O2 > 236.355 > 236.177630013 > 2 > 41 > 27.296885760430044 > 1 > 1 > 0 > 1 > (1R,3R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-3-ol > 2.42 > 2.5436242763333334 > -3.11 > 0 > 3 > 0 > 13.910802212519947 > -3.2752151122437754 > 32.76 > 67.5744 > 0 > 1 > 1.86e-01 g/l > (1R,3R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-3-ol > 1 > NP0024585 > Suberosol B $$$$