HMDB0049039 RDKit 3D TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) 165164 0 0 0 0 0 0 0 0999 V2000 -4.9153 0.3281 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5929 -0.2013 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -0.7406 1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -1.9856 1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 -3.0226 1.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 -3.5495 3.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 -4.8047 3.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 -5.9061 2.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -6.7734 2.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 -7.0487 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 -6.5604 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -6.0657 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -4.8867 -1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 -3.7734 -1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -3.2717 -2.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -2.0729 -3.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -1.1419 -2.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.8901 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 0.2747 -3.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.5217 -3.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0874 2.4520 -2.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 2.8837 -3.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 2.4456 -4.5785 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1818 3.7465 -3.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1885 4.1923 -3.9272 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5549 4.1376 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0783 2.9449 -2.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 1.8420 -3.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 1.8850 -4.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 0.6128 -3.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -0.2504 -2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9454 -0.7488 -3.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 -1.5243 -3.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8331 -2.8148 -2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 -2.8604 -1.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -4.1620 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -4.1733 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 -2.9304 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -3.1213 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 -3.0283 2.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9638 -2.7317 4.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 -1.4340 4.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 -1.2937 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -2.3642 6.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 -2.0061 7.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 -0.7288 8.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 -0.7675 8.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 -1.8617 9.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 5.7209 -4.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 5.8658 -4.8114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 7.1146 -5.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8696 8.1188 -4.7709 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 7.3460 -5.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 8.7601 -5.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 9.4777 -4.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 8.9948 -3.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 7.6629 -2.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 7.3917 -1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 6.0060 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 5.5023 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 4.4032 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 3.5344 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 3.4656 -2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3228 2.6166 -3.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7919 2.6452 -3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1027 1.8339 -4.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 2.2570 -6.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7669 1.0469 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 0.7823 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 -0.5115 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5332 0.7465 1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 -0.8526 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 0.0051 0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 -2.2420 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8908 -2.5807 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9933 -3.7720 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2619 -2.7516 3.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -4.9854 4.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 -6.5779 2.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8051 -5.5423 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 -7.2424 3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -7.7638 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -7.4981 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9057 -5.8966 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 -6.8394 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4197 -4.7301 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -2.9955 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 -4.1226 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -3.9480 -3.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -1.6643 -3.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -1.5675 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4008 -0.2553 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8906 -1.7853 -3.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6151 0.3141 -4.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 2.0340 -3.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 1.3569 -2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5738 1.8287 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 3.2940 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 3.6984 -4.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 4.7969 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 4.7469 -4.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6914 0.9017 -2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 0.0376 -3.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3838 -1.0225 -1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 0.4392 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 0.0880 -4.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 -1.3973 -4.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -1.6188 -4.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 -0.8344 -2.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 -3.6389 -3.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -3.1451 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4771 -1.9946 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -2.9570 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -5.0785 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 -5.1014 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 -2.0183 0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7837 -2.9547 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 -3.3457 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -3.1818 2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -2.6030 3.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7028 -3.5617 4.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4745 -0.5544 3.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -0.2568 5.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -2.5643 6.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 -3.3029 6.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.8156 8.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -1.8677 7.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -0.5981 9.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8973 0.1751 7.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 0.2020 9.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 -0.8962 7.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 -1.7524 10.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0576 -2.8230 9.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 -1.7956 9.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0495 6.2167 -3.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7346 6.1166 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 7.1697 -6.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 6.6162 -5.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 8.7414 -6.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 9.3684 -6.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0771 10.5307 -4.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 9.7229 -4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 9.7252 -2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 9.0262 -3.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4857 7.6240 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 6.8003 -3.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 8.1214 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 7.4708 -2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 6.1706 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 5.3552 -2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 6.1137 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4874 4.0819 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 3.8259 -2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 2.4776 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5027 4.5014 -2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7869 3.0113 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 3.0110 -4.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0536 1.5657 -3.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 2.1559 -2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1265 3.6987 -3.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1967 1.9520 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9674 0.7637 -4.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1997 3.3264 -6.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9353 1.9200 -7.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 1.7188 -6.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 6 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END