Mrv1652306242119503D 47 46 0 0 0 0 999 V2000 -4.2110 2.2444 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 1.4276 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3078 -0.0115 -0.2992 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4063 -0.8023 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -0.4301 -1.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -0.3521 0.3505 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8939 0.3512 -0.4222 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4815 0.2339 0.0124 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2288 1.0450 -0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 -1.1176 -0.1247 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5187 -2.1062 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 -1.5399 -1.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -1.1644 0.2187 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5477 -0.3236 -0.5474 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9606 -0.5868 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7064 0.3713 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 1.7507 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0822 0.0678 0.9513 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9913 0.8410 0.2338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 1.8975 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 3.3006 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1188 1.8550 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9585 -1.7335 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1558 -1.0441 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8524 -0.1728 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -1.3629 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 -0.1403 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 -1.4767 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -0.0017 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 1.4354 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 0.6928 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 1.9867 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -1.5092 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 -2.8703 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 -2.6317 1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 -0.7559 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -1.0242 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -2.2446 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 0.7535 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 -0.4805 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3743 -1.5821 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7952 2.1585 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 1.7800 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 2.4503 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 -1.0171 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 0.4309 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 1.4083 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 6 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 6 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 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 8 31 1 1 0 0 0 9 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 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 M END > NP0013772 > NP-MRD > [H]OC([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@](O[H])(C([H])=C([H])[H])C([H])([H])[H])\C([H])([H])[H] > InChI=1S/C15H28O4/c1-5-14(3,18)10-8-13(17)15(4,19)9-6-7-12(2)11-16/h5,7,13,16-19H,1,6,8-11H2,2-4H3/b12-7+/t13-,14+,15-/m0/s1 > OXUCICPIXVUUAY-KPKJPENVSA-N > C15H28O4 > 272.385 > 272.198759382 > 4 > 47 > 31.42973305770575 > 1 > 4 > 0 > 1 > (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol > 0.99 > 0.9639504903333341 > -2.04 > 0 > 0 > 0 > 14.610911451128882 > 13.685578757238769 > -2.079704276229413 > 80.92 > 78.05449999999999 > 9 > 1 > 2.47e+00 g/l > (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol > 0 > NP0013772 > Phellinuin I $$$$