Mrv1652306242119503D 67 67 0 0 0 0 999 V2000 -8.8810 -0.6111 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8385 -0.3774 1.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5426 -0.0199 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5142 -0.5988 1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8403 -1.5662 2.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2314 -2.8231 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 -0.2964 1.0920 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4658 -1.5200 0.9119 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8596 0.5854 -0.0635 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7164 0.1288 -0.9468 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4384 0.0534 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 0.7775 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5362 1.6943 -1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 0.7453 0.0953 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9676 0.3044 -0.8896 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3209 0.2455 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 0.9328 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2603 1.8811 -1.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6727 0.8292 -0.0112 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7519 -0.1058 1.1411 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8892 0.2314 2.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1567 -0.1617 1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9252 -1.1824 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3615 -1.2617 1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -2.3177 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0299 0.8768 -0.9504 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8438 2.1754 -1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2961 0.9855 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1302 1.8770 -0.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0994 0.2881 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8119 -0.7466 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7387 -1.5063 -0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1347 -2.7213 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4475 -3.2892 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4208 -3.5494 2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 0.1207 2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 -2.0166 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5259 1.5878 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 0.8267 -1.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 -0.8560 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.5993 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7562 1.1265 -2.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 2.3920 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 2.3519 -1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.6722 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -0.0547 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7434 -0.7069 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 0.9910 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -0.4412 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 1.4263 -2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 2.8380 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2553 2.2058 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0846 1.8379 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3709 0.4225 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 -1.1315 0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8736 -0.5504 2.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5569 0.6343 2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -0.2298 1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9409 -1.9136 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4433 -1.6327 2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2812 -2.8668 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 -1.8918 -0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7700 -2.9742 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1401 0.0696 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3562 2.9464 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8684 2.5015 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3059 1.9575 -2.6633 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 3 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 3 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 1 0 0 0 8 37 1 0 0 0 0 9 38 1 1 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 6 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 6 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 M END > NP0013851 > NP-MRD > [H]O[C@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])[C@]1([H])[C@]([H])(O[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(=O)[C@@]1([H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H] > InChI=1S/C24H38O5/c1-15(2)13-19(25)14-17(4)10-8-9-16(3)11-12-20-18(5)21(26)23(28-6)24(29-7)22(20)27/h10-11,13,18-20,22,25,27H,8-9,12,14H2,1-7H3/b16-11+,17-10+/t18-,19+,20-,22-/m0/s1 > YHFPMZZFCMHQCT-UHFFFAOYSA-N > C24H38O5 > 406.563 > 406.271924324 > 5 > 67 > 48.56455062989122 > 1 > 2 > 0 > 1 > (4S,5S,6S)-4-hydroxy-5-[(2E,6E,9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2,3-dimethoxy-6-methylcyclohex-2-en-1-one > 3.99 > 3.5030790833333327 > -4.74 > 0 > 1 > 0 > 18.238812159446812 > 13.51234875684359 > -1.3819094170351431 > 75.99000000000001 > 121.58669999999996 > 10 > 1 > 7.43e-03 g/l > (4S,5S,6S)-4-hydroxy-5-[(2E,6E,9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2,3-dimethoxy-6-methylcyclohex-2-en-1-one > 0 > NP0013851 > Antrocamol LT1 $$$$