HMDB0053010 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 3.8240 -7.9374 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -8.2613 -2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 -7.7391 -2.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 -6.8533 -3.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7437 -6.2859 -4.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -6.6634 -5.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -5.8282 -6.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 -4.3460 -6.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 -4.0241 -7.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -3.2380 -8.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 -2.5441 -8.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 -1.0945 -8.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 -0.2165 -8.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 -0.4432 -7.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 0.3192 -7.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 1.3369 -7.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 1.8239 -6.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 1.7824 -5.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 2.2734 -3.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 2.3011 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 2.8607 -1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1257 2.9626 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 3.7566 0.6065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 2.3024 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 2.3288 0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8969 1.8429 2.1255 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2214 2.8204 3.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5903 2.3601 4.3779 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 3.0537 5.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 4.1295 5.4317 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 2.4229 6.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 3.3823 8.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 2.6448 9.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 3.4974 10.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3233 4.6474 10.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 5.8707 10.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 6.3709 11.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 7.1879 10.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 7.0103 10.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 5.9901 10.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 4.9350 10.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 4.6225 9.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 5.3185 7.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 5.8499 7.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 4.7503 6.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 5.3823 6.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 4.3124 5.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 0.5073 2.2537 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -0.4707 2.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3217 -0.0681 3.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 -1.8805 3.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 -2.1295 2.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 -3.5553 2.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -3.8469 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -3.5937 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 -3.9113 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -3.6136 -1.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 -2.1861 -2.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -1.8591 -3.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0213 -2.5559 -4.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -3.4046 -5.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -3.7922 -5.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2534 -3.4143 -7.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 -3.9198 -8.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 -3.6515 -7.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 -4.1947 -9.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 -3.9879 -8.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7737 -4.5808 -7.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4542 -4.0964 -6.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 -8.8006 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8431 -7.6237 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 -7.0948 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -8.0056 -2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -9.4082 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -8.1393 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -6.5245 -4.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -5.1874 -4.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 -6.6418 -3.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 -7.7648 -5.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -6.1605 -7.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -4.0676 -5.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -3.8786 -6.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 -4.5044 -6.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 -3.0521 -8.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -2.8813 -9.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 -2.8397 -8.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 -0.8128 -9.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 0.8325 -8.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2138 -1.5218 -7.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 -0.1631 -6.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0861 0.0026 -8.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 1.8800 -7.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 1.4233 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 2.9430 -6.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 2.5274 -5.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 0.8358 -5.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 1.7609 -3.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 3.3524 -3.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 1.3441 -2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 3.0101 -3.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 2.3128 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 3.9003 -1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 1.8315 0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 3.4183 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 1.7983 2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 2.7838 2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 3.8427 2.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 2.0757 6.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 1.5122 7.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 3.5792 8.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 4.2450 7.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2926 2.2220 8.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6694 1.7696 9.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 3.7296 10.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1085 2.8794 11.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2486 4.3991 9.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7373 6.6707 9.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3045 7.0662 11.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 5.5919 11.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 8.0246 9.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1335 7.7508 9.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 6.5939 11.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 5.5847 11.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 4.2370 11.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7446 3.7322 8.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 6.1497 7.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 4.5671 7.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5944 6.4205 6.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 6.4892 7.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 4.2739 7.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 3.9535 6.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 5.8973 5.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 6.0944 6.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7404 4.0865 6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 3.3784 5.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 4.7172 4.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -2.5755 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -2.1754 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 -1.8301 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -1.4497 2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -4.1721 1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1329 -3.9170 3.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -3.1147 2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 -4.8546 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -2.5708 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 -4.3423 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -3.1623 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 -4.9446 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 -4.2031 -2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7181 -3.9777 -2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -1.7008 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 -1.6151 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1143 -0.7631 -3.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.9551 -4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -2.3267 -3.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 -3.8302 -5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -4.9320 -5.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -3.4275 -5.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -2.2574 -7.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -3.5035 -7.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 -5.0430 -8.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -3.4877 -9.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -2.6170 -7.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -4.3002 -7.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 -5.3020 -9.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 -3.7673 -10.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -2.8727 -9.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4962 -4.3792 -9.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -4.4706 -7.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6508 -5.7138 -7.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 -4.9054 -5.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -3.1391 -6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -3.9165 -5.8952 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 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 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 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 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 69173 1 0 M END