27924 -OEChem-04192415202D 100103 0 1 0 0 0 0 0999 V2000 15.0389 -2.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0939 -1.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8210 0.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7465 2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9229 3.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0256 -3.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4016 0.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1237 -0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7168 -1.1319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8607 -1.7253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8030 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6230 -0.0945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9223 -1.2733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7220 0.3394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8524 -0.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7996 -2.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3760 -3.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4995 1.3143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5239 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1230 2.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8544 -0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7465 1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1230 2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5697 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5732 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1213 -3.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6152 2.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1946 -1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7214 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2994 -3.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8333 3.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3662 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6385 -2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7392 -1.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9108 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0115 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1831 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2838 -1.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4554 -2.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5561 -2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 -2.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5636 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3624 -0.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3652 -1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6556 0.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8507 -2.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4175 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7485 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1114 -3.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9367 -3.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3282 1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0087 -0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8152 0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2357 -0.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8936 -0.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2028 0.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6816 2.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9850 2.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0517 1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3595 2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2422 1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4806 2.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9462 -3.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7898 -4.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6526 -4.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2199 3.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3486 3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0023 -2.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7974 -2.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0060 0.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8307 -1.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0357 -1.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2746 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0697 -2.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -1.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 -1.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5469 -2.7038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3420 -2.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3753 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -1.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 -2.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6143 -2.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 -1.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 -1.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 -2.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8866 -2.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -1.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 -1.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -3.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 -3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1923 -1.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 -1.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 -2.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -3.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3473 -3.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 26 1 0 0 0 0 13 2 1 6 0 0 0 2 28 1 0 0 0 0 14 3 1 1 0 0 0 3 60 1 0 0 0 0 20 4 1 6 0 0 0 4 64 1 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 29 1 0 0 0 0 7 75 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 45 1 1 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 46 1 6 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 1 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 55 1 1 0 0 0 19 22 2 0 0 0 0 19 56 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 27 2 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 38 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 39 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 40 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 41 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 42 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 42 43 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 44 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 M END > 27924 > 1 > 1150 > 8 > 3 > 17 > AAADcfB8PAAAAAAAAAAAAAAAGAAAAQAAAAAwAAAABggAAACAAAAAGgAACAAAD1SggAICCAAABgCIAqDSCAIAAAAgAAAACAFAAEgBFBIAAQACUAAFwAAKEYPK7PyPgAAAAAAAAADCAAYQADCAAAAAAAAAAA== > [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetoxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate > tetradecanoic acid [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] ester > [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate > [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate > [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-1,6-bis(oxidanyl)-5-oxidanylidene-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate > myristic acid [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetoxy-1,6-dihydroxy-5-keto-4,12,12,15-tetramethyl-8-methylol-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] ester > InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1 > PHEDXBVPIONUQT-RGYGYFBISA-N > 6.5 > 616.39751874 > C36H56O8 > 616.8 > CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C > CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C > 130 > 616.39751874 > 0 > 44 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 5 12 46 6 15 21 5 18 55 5 13 2 6 14 3 5 20 4 6 9 45 5 $$$$