Mrv1652306242119503D 42 44 0 0 0 0 999 V2000 -2.1583 -0.3114 -1.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 -0.3721 -0.2823 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4149 -1.6520 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.7432 0.5279 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7917 0.2897 1.7883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.9243 0.7324 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0220 1.6720 0.9334 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4872 0.7713 -0.1402 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2836 1.4675 -1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 0.4076 -0.0609 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8178 1.3048 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 2.5399 0.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 0.5230 1.0995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6494 -0.8474 0.8363 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1429 -0.9045 0.7015 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6644 -2.0072 -0.1826 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3487 -1.5930 -0.8591 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3020 -0.5199 -0.0472 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8414 -1.1586 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -0.4015 -2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7781 0.6057 -1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -2.5009 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -1.4162 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 -1.8105 1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 1.0748 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 1.0204 2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 2.4509 1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6859 2.6892 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 1.2637 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 2.6917 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 1.8126 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 0.8949 -2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 2.3998 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 0.1914 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9982 -1.4230 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 -1.0966 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -0.8844 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.9236 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -2.2351 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -2.4994 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 -1.3390 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -0.8422 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 2 1 0 0 0 0 18 8 1 0 0 0 0 15 10 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 6 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 6 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 1 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 1 0 0 0 M END > NP0013799 > NP-MRD > [H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]3([H])C(=O)OC([H])([H])[C@]3([H])C([H])([H])C([H])([H])[C@]2([H])C1(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H24O3/c1-14(2)10-5-4-9-8-18-13(17)12(9)15(10,3)7-6-11(14)16/h9-12,16H,4-8H2,1-3H3/t9-,10+,11-,12+,15+/m0/s1 > YTPPVTGAFMNBMU-UHFFFAOYSA-N > C15H24O3 > 252.354 > 252.172544633 > 2 > 42 > 27.76733103832989 > 1 > 1 > 0 > 1 > (3aR,5aS,7S,9aR,9bS)-7-hydroxy-6,6,9a-trimethyl-dodecahydronaphtho[1,2-c]furan-1-one > 2.56 > 2.1386737269999996 > -2.88 > 0 > 3 > 0 > 19.48941850691599 > -0.8351280993524622 > 46.53 > 68.2653 > 0 > 1 > 3.34e-01 g/l > (3aR,5aS,7S,9aR,9bS)-7-hydroxy-6,6,9a-trimethyl-octahydro-3H-naphtho[1,2-c]furan-1-one > 0 > NP0013799 > Sulphureuine F $$$$