HMDB0055482 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/O-18:0) 174173 0 0 0 0 0 0 0 0999 V2000 2.6959 -9.9847 -2.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 -10.0074 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 -10.5314 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 -9.9321 -0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 -8.5562 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -8.4839 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 -8.0804 2.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -7.6276 2.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 -8.4424 3.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 -8.0446 4.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -6.7169 4.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 -5.5858 4.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8659 -4.5231 3.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 -4.3255 3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -3.0359 3.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -2.8803 3.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8203 -1.5858 4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0437 -0.4186 3.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -0.1708 4.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 0.3651 2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 1.4397 2.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 1.2655 1.1392 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6282 0.4234 1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 0.2299 0.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 -0.5484 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -0.5418 -1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 0.8373 -2.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.1179 -3.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 0.3777 -4.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 0.3938 -5.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9344 -0.1409 -6.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 -1.4818 -6.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -2.6580 -6.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 -3.0398 -5.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -3.4292 -4.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.7731 -3.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9532 -4.1220 -3.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 -4.4774 -1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -3.4036 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -2.1269 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 -2.1422 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9765 -2.9593 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2317 2.5195 0.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3575 2.9357 -0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 2.2009 -1.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 4.2117 -1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 5.1439 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 4.6730 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 4.0222 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 4.7586 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0295 3.8103 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 3.3992 1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6602 2.5087 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 2.7456 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 3.9394 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2916 5.2647 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 5.1827 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2373 6.0316 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9925 7.1920 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 7.6470 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6026 8.7916 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8396 9.7153 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 9.7797 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 10.6707 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 10.7130 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 9.2762 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3423 -9.0600 -2.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -10.8653 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 -9.9637 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -9.0682 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -10.7643 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 -11.5634 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 -10.4709 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -8.0292 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 -7.9844 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 -8.8141 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -8.0880 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 -6.5710 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -7.8088 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -9.5518 2.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5384 -8.8851 4.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 -6.4717 4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 -6.8125 5.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 -5.5218 4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -3.7373 3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -4.2083 2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 -5.1484 3.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6409 -3.0810 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 -2.2358 3.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -2.9168 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 -3.7090 4.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 -1.6818 5.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8565 -1.5292 3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 2.1254 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 2.1320 2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 0.7759 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 -0.6031 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 0.7842 2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 -1.5943 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9405 -0.2417 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 -0.9682 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 -1.2040 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 1.6032 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 1.1216 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 2.2191 -3.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 1.0498 -2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -0.6598 -4.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 0.8734 -5.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 1.4809 -5.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 -0.0625 -4.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9581 0.1211 -7.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 0.5973 -7.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -1.5956 -6.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -1.4843 -8.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 -3.5538 -7.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 -2.5685 -6.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -3.9981 -4.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -2.3536 -4.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -4.3670 -5.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 -2.7246 -5.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1629 -4.6681 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -3.0047 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -3.2912 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -5.0087 -3.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -4.8240 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -5.3603 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -3.2075 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -3.8356 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 -1.4466 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 -1.5493 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 -2.4323 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5524 -1.0881 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2769 -3.9099 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -3.0700 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 -2.4561 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 4.7361 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 4.0293 -1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 5.5187 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 6.0633 -0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 5.6130 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1484 4.0939 1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 2.9912 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 3.8750 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 5.6406 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4704 5.1133 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 4.2795 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 2.8899 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 4.2559 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6341 2.7247 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 1.5195 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 2.1683 2.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7019 1.8527 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 2.6274 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8468 3.8178 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 3.9855 2.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 6.0669 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 5.2842 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0167 4.3252 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2747 5.7789 -2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7401 8.0515 -1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1104 7.0204 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7019 7.1056 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7372 9.0998 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 10.7693 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 9.5026 -0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4643 10.0532 1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 8.7565 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 10.2815 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9426 11.6850 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 11.3208 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 11.0926 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 8.7928 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 9.3329 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 8.7347 -0.3159 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 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 1 0 28 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 22 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 2 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 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 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 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 21 94 1 0 21 95 1 0 22 96 1 6 23 97 1 0 23 98 1 0 25 99 1 0 25100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 42135 1 0 46136 1 0 46137 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 58159 1 0 59160 1 0 59161 1 0 60162 1 0 61163 1 0 62164 1 0 62165 1 0 63166 1 0 63167 1 0 64168 1 0 64169 1 0 65170 1 0 65171 1 0 66172 1 0 66173 1 0 66174 1 0 M END