HMDB0048796 RDKit 3D TG(16:1(9Z)/20:2n6/20:2n6) 169168 0 0 0 0 0 0 0 0999 V2000 -7.8075 -2.9655 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1512 -3.5739 -1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3545 -4.8801 -2.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1436 -5.0341 -3.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7388 -4.7789 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7635 -5.0097 -5.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4354 -4.1144 -6.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9932 -2.7672 -6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9185 -1.7546 -6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 -0.8446 -7.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2764 -0.7225 -8.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5825 0.5999 -7.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4382 0.5841 -6.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7243 1.7843 -5.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3398 1.9216 -6.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 3.0890 -5.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 3.3391 -6.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 2.1441 -6.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 1.5424 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 2.3527 -3.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0594 3.3182 -3.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 2.1479 -3.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 2.9129 -2.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 2.3564 -2.4295 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7691 2.7813 -3.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 2.4942 -3.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0005 2.8685 -2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5308 3.5558 -1.5208 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 2.5296 -2.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8124 1.1373 -2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 0.5741 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0141 -0.8245 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7411 -1.5877 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2879 -1.8365 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -2.6321 1.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4957 -1.9701 3.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7389 -1.6192 4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 -1.8337 4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -2.7026 5.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 -2.0730 6.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 -2.8011 7.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 -3.0838 8.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 -3.9502 7.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 0.9979 -2.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 0.4099 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 1.2027 0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -1.0346 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 -1.5993 -0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.4173 -2.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 -2.0007 -2.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 -1.5427 -1.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -1.8827 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 -1.2221 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -1.5318 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 -0.8333 3.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 0.6118 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 1.4685 3.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 1.2147 5.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8489 1.9975 5.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 2.9476 6.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 3.3045 6.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 3.0697 8.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 3.4148 8.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 3.1935 10.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 1.7500 10.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6767 -2.0920 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9523 -3.6756 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6685 -2.4592 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4882 -3.6959 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8656 -2.8320 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7962 -5.6951 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4333 -5.1732 -1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8054 -4.2675 -4.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5361 -6.0053 -4.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4645 -3.7904 -3.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -5.5917 -3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0729 -6.0038 -5.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4823 -4.3448 -7.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -2.5514 -6.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9664 -2.5432 -5.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9806 -1.7381 -6.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3917 -0.1505 -7.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6512 -1.5952 -7.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4116 -0.6245 -9.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2271 1.4305 -8.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6151 0.6006 -8.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 -0.3615 -5.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 0.5968 -5.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2831 2.6957 -6.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5614 1.7727 -4.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 0.9984 -6.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 2.1929 -7.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 4.0075 -5.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 2.9669 -4.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 3.7121 -7.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 4.1454 -5.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5892 2.4688 -6.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 1.3693 -7.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 0.5769 -5.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 1.1495 -4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 2.8172 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 3.9807 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 2.8670 -1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 3.8986 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 2.4035 -4.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 3.2320 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7951 2.7924 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 0.4740 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9343 1.0131 -2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8593 1.1789 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3318 0.5707 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6747 -1.4112 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1142 -0.7535 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3282 -2.5522 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1824 -1.0447 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8535 -2.4054 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -0.8553 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5615 -3.6204 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -2.8865 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -1.7248 3.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2452 -1.1012 5.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9037 -2.3391 3.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -0.8510 4.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 -2.6592 5.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 -3.7364 5.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 -1.0382 6.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 -1.8494 6.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4822 -2.2254 8.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5134 -3.7916 7.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.1329 8.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5588 -3.6233 9.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -4.6941 7.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 -3.3561 6.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4279 -4.5635 6.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 -1.5648 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4862 -1.2433 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7877 -2.6331 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -0.8975 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 -0.3032 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7903 -1.8260 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -3.1283 -2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -1.9360 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -1.9289 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 -0.4150 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 -3.0072 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.8257 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -0.1393 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 -1.5614 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 -1.1747 2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 -2.6231 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4752 -1.2311 2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -1.1032 4.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 1.0049 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 2.5340 3.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 0.1370 5.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 1.4631 5.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 1.7855 5.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 3.4703 7.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 4.4396 6.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3029 2.8425 6.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 2.0211 8.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1843 3.6871 9.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 2.7416 7.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 4.4670 8.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4372 3.3721 10.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 3.8379 10.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 1.6758 10.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 1.1116 9.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 1.3718 11.0013 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 2 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 24 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END