HMDB0043072 RDKit 3D TG(15:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 160159 0 0 0 0 0 0 0 0999 V2000 2.5177 3.0888 -3.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 3.4785 -4.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 2.2847 -5.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 1.9368 -5.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 2.7327 -4.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 3.1392 -5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5294 2.8432 -5.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 2.0276 -4.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7498 0.8212 -5.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4929 -0.4138 -4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 -0.8476 -3.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -1.6960 -2.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 -2.9309 -2.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 -3.5980 -3.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 -4.1403 -2.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5314 -5.4185 -2.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1554 -6.3986 -3.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 -7.1461 -4.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4921 -6.3969 -5.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 -5.5947 -4.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 -5.6692 -3.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 -4.7452 -5.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 -3.9404 -5.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0778 -2.9655 -4.1664 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7362 -2.3422 -4.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -1.7843 -3.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 -0.7296 -2.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6017 -0.0754 -2.7974 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2045 -0.4042 -1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 0.7811 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 0.9948 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8837 1.2535 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 2.5089 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4757 2.8135 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 3.0014 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 4.1068 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9454 4.3357 2.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 3.1773 3.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 2.6786 4.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 1.5124 4.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 0.8809 5.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1707 0.3295 4.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -2.1590 -3.9606 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 -2.1996 -2.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -3.0006 -1.9486 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 -1.3714 -2.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.0219 -2.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6779 0.5841 -1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 0.2116 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -1.1862 0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7248 -1.4817 1.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 -0.5495 2.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8131 -0.8228 4.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -2.1188 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 -2.6000 5.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -2.1132 6.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -1.0107 6.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 0.4125 6.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 1.2072 5.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9139 2.7139 5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 3.4922 4.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 3.3189 3.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 2.2529 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2363 3.9344 -3.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 2.7751 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 4.0214 -5.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 4.2291 -4.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 1.6482 -5.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5854 1.0257 -5.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 3.6275 -3.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 2.0310 -3.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 3.7539 -6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2004 3.1674 -6.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1097 2.7014 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6447 1.8074 -3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4731 0.9961 -6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -1.2316 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2416 0.0626 -3.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 -1.2235 -4.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 -1.2563 -2.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 -3.5410 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -2.9674 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 -4.4333 -3.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -3.4434 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 -5.7188 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 -6.1327 -3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 -7.2773 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 -7.8618 -4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -7.8674 -3.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -7.1705 -5.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -5.7991 -5.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -3.3600 -6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2178 -4.5888 -5.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -3.6634 -3.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 -1.5457 -5.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -3.0902 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2275 -0.2059 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -1.2921 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 1.6925 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 0.4782 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 1.8599 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 0.1093 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 1.3420 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 0.4264 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 2.3281 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 3.3769 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 3.6493 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 1.9085 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5185 2.0234 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 3.2809 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 3.9984 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9847 5.0499 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 4.7401 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 5.1587 3.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 2.3420 2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8727 3.5335 4.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 2.4051 3.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 3.4574 4.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8324 0.7535 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 1.9050 5.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 0.0483 6.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 1.5991 6.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4169 0.4389 3.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 0.8141 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 -0.7590 5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -1.9534 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 -1.4299 -3.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 0.6216 -3.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2857 0.4045 -2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 1.7222 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 0.4217 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 0.9492 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3922 0.3876 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4981 -1.8956 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9744 -1.4489 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8067 -1.3660 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5162 -2.5337 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6149 0.4883 2.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -0.4717 2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 0.0028 4.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 -0.8859 4.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0088 -2.1473 5.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0894 -2.9637 4.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 -2.7688 4.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 -3.7684 5.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 -3.0900 6.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -2.2012 7.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 -1.1793 5.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -1.3130 7.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 0.8923 6.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0195 0.6200 7.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.0949 4.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 0.9809 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 3.0009 5.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 2.8444 6.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 4.5563 4.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 3.1110 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 2.2761 2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 3.3981 3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 4.0294 2.2996 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 24 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 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 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 42125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END