HMDB0299805 RDKit 3D DG(i-19:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 122121 0 0 0 0 0 0 0 0999 V2000 17.7426 0.6626 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0107 1.9738 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8645 2.0074 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9931 0.8204 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7995 0.7571 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9777 -0.4025 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7160 -0.4275 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9727 0.8151 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 0.7541 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0900 -0.5685 -0.0015 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0272 -1.2271 1.2287 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6817 -0.4523 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1148 -1.7685 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0416 -2.2651 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 -1.6855 0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -0.3995 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 0.6128 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7325 1.9105 1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 2.3868 2.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 1.5541 3.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 0.2383 3.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3828 -0.8587 3.5729 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 0.1713 2.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0695 2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.8789 1.7118 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7690 -2.0879 1.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2574 0.2089 0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4217 0.5203 0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -0.3031 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -1.4127 -1.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 0.1111 -1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -0.8007 -2.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -2.1938 -2.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0299 -2.6342 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4624 -2.3726 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9122 -0.9511 -1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4227 -0.8238 -1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9008 -1.3074 -2.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3990 -1.2111 -3.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1707 -2.0555 -2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6344 -1.9691 -2.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3270 -0.6799 -2.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3225 0.1151 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0217 0.6257 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3955 1.4257 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1946 2.0054 1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4207 2.9471 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6669 2.7563 2.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7426 0.4136 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7735 0.7585 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2545 -0.1691 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4981 1.9920 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6674 2.8472 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3400 2.9665 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2922 1.9611 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6623 0.8503 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5365 -0.1344 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2790 0.6949 2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3046 1.7369 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4651 -1.3922 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2142 -1.3930 0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 1.7697 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1293 1.6805 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6795 -1.1080 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3529 -0.6754 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -0.0302 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 0.3239 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7065 -2.4000 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -3.3217 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 -1.6271 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 -2.4355 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.2174 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 0.4488 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 1.8602 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 2.6923 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 3.4668 2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 2.4663 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 2.0742 4.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1063 1.4886 4.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7144 -1.4654 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.7654 3.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -0.5163 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -2.5618 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 0.0284 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 1.1374 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 1.1080 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1195 0.3321 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 -0.2523 -3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 -0.8021 -3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2444 -2.7286 -3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 -2.7166 -2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 -2.2935 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 -3.7669 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9563 -2.8665 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9473 -2.9420 -2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7319 -0.5380 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3786 -0.2412 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8712 -1.4512 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7568 0.2058 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5510 -2.2943 -3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -0.5838 -3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6050 -1.5743 -4.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7810 -0.1880 -3.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9153 -3.1450 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7696 -2.0645 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8779 -2.4816 -3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0916 -2.6673 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3970 -0.8237 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9221 0.0290 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0099 1.0116 -1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8235 -0.4427 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3603 -0.1957 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5213 1.2754 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8597 0.6886 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1278 2.1914 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4877 1.2185 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5948 2.4195 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0659 3.5185 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9169 3.6889 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4671 3.8496 2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7623 2.6605 2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1492 2.3932 3.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 6 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 1 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END