HMDB0049488 RDKit 3D TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 7.7150 -4.7872 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8514 -5.0887 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6318 -3.8673 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4511 -3.3718 0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -3.9980 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 -4.3361 1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -3.8229 1.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 -2.8979 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 -3.6319 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -3.1961 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -1.9000 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -1.1257 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 0.0543 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 0.7953 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 2.0430 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 3.2225 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 3.5623 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 4.1927 -2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 5.3971 -2.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 4.9643 -1.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 3.7178 -2.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 5.6928 -1.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3612 5.1049 -1.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 4.7699 -2.7323 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4747 4.3157 -2.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7066 3.1692 -1.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6142 2.8911 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 3.8317 0.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8817 1.5491 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6797 1.6851 1.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9194 0.5004 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0827 -0.7142 2.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5163 -1.7601 3.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -3.0542 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9875 -3.7046 1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 -5.0298 1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -4.8911 1.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 -6.2394 1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -6.8201 2.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -6.1447 3.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -6.0250 4.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 -5.3288 5.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -6.0871 6.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 -5.3478 7.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -5.3034 7.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3578 3.8489 -3.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9873 4.1628 -4.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3331 5.3717 -5.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2854 3.3955 -5.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 1.9472 -5.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 1.4664 -4.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 0.0109 -4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8818 -0.5168 -4.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3836 0.2634 -4.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2414 0.0351 -5.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 -0.4856 -5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 -0.9666 -4.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 -1.0259 -3.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2715 -0.4092 -2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4484 0.4769 -2.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 1.8070 -1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 2.3268 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 1.7448 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 2.7270 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 4.0000 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6151 5.0079 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8172 4.4776 1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7455 -4.5994 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -5.6547 -1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2283 -3.9180 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -5.7385 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 -5.6640 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5598 -3.3774 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3714 -2.4529 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 -3.2906 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 -4.9860 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -5.0176 2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 -4.1250 2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -2.6248 -0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 -1.9650 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 -4.6091 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -3.8317 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -1.4279 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -2.2583 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -1.5998 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 0.5957 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 0.2392 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 0.9582 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 1.9227 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 4.0911 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 4.3128 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 2.7084 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1762 3.4228 -2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 4.3756 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 6.1579 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 5.8241 -3.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9322 5.7764 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 4.1025 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2016 5.7443 -3.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1064 4.3848 -3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9346 5.1661 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 1.2105 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0859 0.8596 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3026 2.5458 2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6193 2.0231 1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7595 0.7246 3.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9999 0.1949 2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0007 -0.5422 2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3099 -1.1424 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4721 -1.3234 4.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5978 -1.9800 2.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7018 -2.9058 3.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2082 -3.7190 3.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0684 -3.9334 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7257 -3.0561 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6731 -5.7331 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4698 -5.4458 0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -4.3528 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4179 -4.2577 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3745 -6.7956 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -7.8274 2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -6.8771 4.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6732 -5.2334 4.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 -7.0404 4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -5.5365 3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -4.2620 5.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -5.3734 5.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 -7.1181 6.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -6.1249 6.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6627 -5.8353 8.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 -4.3311 7.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 -6.1134 7.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -5.3726 8.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 -4.3206 7.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 3.8412 -6.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8077 3.6055 -6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 1.6252 -6.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0298 1.3731 -5.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4734 2.0957 -4.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 1.5627 -3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -0.6392 -4.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -1.6140 -4.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8996 0.2354 -3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 1.3521 -4.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8355 0.3373 -6.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.5743 -6.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4255 -2.0964 -4.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.5901 -4.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -1.6810 -2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 -0.5129 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 0.0902 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 0.6434 -3.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1584 2.3355 -2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 3.3130 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 0.7980 -0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 1.7169 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 2.2084 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1818 2.8959 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5812 4.4676 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3065 3.7000 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 5.8718 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 5.4254 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 3.6256 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5927 4.2212 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2426 5.2852 2.1939 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 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 1 0 37 38 1 0 38 39 2 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 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 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 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 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