HMDB0049689 RDKit 3D TG(18:1(11Z)/O-18:0/20:2n6) 174173 0 0 0 0 0 0 0 0999 V2000 1.3862 -0.8434 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -2.1363 1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 -3.0055 1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 -4.3003 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -4.1853 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -5.5501 -1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -6.1171 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -5.6494 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -4.3362 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5214 -3.5508 -1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -3.9120 -2.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -2.9432 -3.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3149 -2.4659 -4.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 -1.5613 -3.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -1.0598 -3.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -0.0232 -2.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 0.5145 -2.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -0.5076 -3.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -1.0633 -1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 0.0142 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4633 0.8082 -0.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6379 0.1317 -0.3505 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 1.2235 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4541 1.2290 0.8134 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1260 1.3592 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 0.2173 -1.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2156 -1.0636 -1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8685 -1.3167 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 -2.2156 -1.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5273 -1.6620 -3.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7373 -0.9588 -3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -0.3533 -5.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 0.6731 -5.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 1.2593 -6.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 2.3044 -6.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3593 3.4240 -5.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 4.4217 -5.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 3.8604 -5.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 4.2108 -4.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 5.2818 -3.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 6.4637 -3.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 6.0696 -2.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 7.2888 -2.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 7.9737 -3.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3601 7.1040 -4.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 2.3410 1.5453 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5542 2.2996 2.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 1.7380 3.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5462 0.3320 3.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2361 -0.1574 5.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 0.6736 5.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 0.1511 7.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -1.2141 7.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -1.2040 6.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -2.5890 7.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -2.5888 6.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 -1.7902 7.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 -1.8310 7.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -1.2833 6.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -1.3710 6.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 -0.8516 4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2588 -1.6188 3.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 -1.0854 2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5588 0.3570 2.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 -0.6774 3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 0.0158 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -0.8495 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -1.8944 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 -2.6966 2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 -3.2501 2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 -2.3868 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -4.8759 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -4.8630 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 -3.5001 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -3.6699 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9725 -6.1415 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -7.2177 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 -6.0214 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 -6.3840 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5087 -3.9537 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7606 -2.5693 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 -4.0194 -2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6923 -4.9107 -3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2786 -1.9931 -3.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -3.2179 -4.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3256 -1.9169 -5.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -3.3039 -4.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -0.6724 -2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -2.0515 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -0.5319 -4.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -1.8774 -3.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 0.8315 -2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 -0.4052 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 1.4343 -2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 0.8406 -4.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 0.0099 -3.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3534 -1.3236 -3.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -1.5599 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 -1.7934 -1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 1.1382 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 2.1401 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 0.3149 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2042 1.4727 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6789 2.2322 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6753 -2.9677 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 -2.6887 -1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2306 -2.5321 -3.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6601 -1.0143 -3.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1589 -0.2445 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5109 -1.7663 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3867 0.1632 -5.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 -1.1732 -5.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4593 0.3321 -4.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 1.5096 -4.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 1.7407 -6.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8225 0.4801 -7.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 1.8735 -6.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9644 2.7260 -7.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 3.0659 -4.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 3.9590 -5.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 5.3897 -5.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 4.6470 -6.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 3.0473 -5.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 3.6720 -3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 4.8208 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 5.6903 -3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 7.0041 -4.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 7.1691 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 5.2748 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 5.6990 -1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 7.0720 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 8.0578 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 8.4417 -4.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 8.8192 -3.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 6.4124 -5.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 7.7911 -5.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 6.5229 -4.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5473 1.7529 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8683 3.3837 2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8909 1.7571 4.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 2.4123 4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 -0.3042 3.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 0.2260 3.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2043 -0.2581 5.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8441 -1.1874 5.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 0.6295 5.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 1.7626 6.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 0.2420 7.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 0.9016 7.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5244 -1.6593 8.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -1.9541 6.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -0.5209 7.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0051 -0.8183 5.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -3.0156 8.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -3.2602 6.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 -2.1253 5.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3188 -3.6551 6.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -0.7117 7.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 -2.1960 8.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -2.8957 7.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -1.2845 8.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 -0.2019 6.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 -1.8690 5.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6536 -0.9234 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -2.4663 6.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 0.2315 4.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8645 -0.9958 4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 -2.6750 3.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -1.4942 3.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -1.7022 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -1.2636 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3164 0.5369 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 1.0189 2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.6516 2.7011 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 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 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 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 1 25103 1 0 25104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 45137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 55155 1 0 56156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 58161 1 0 59162 1 0 59163 1 0 60164 1 0 60165 1 0 61166 1 0 61167 1 0 62168 1 0 62169 1 0 63170 1 0 63171 1 0 64172 1 0 64173 1 0 64174 1 0 M END