HMDB0007940 RDKit 3D PC(15:0/18:2(9Z,12Z)) 129128 0 0 0 0 0 0 0 0999 V2000 -0.3899 -3.6150 -5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 -2.7923 -4.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 -1.3622 -5.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 -0.4542 -3.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 0.9432 -4.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 1.9410 -3.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 2.6598 -3.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 2.5705 -4.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 2.2251 -3.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8837 1.1498 -4.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4685 0.1834 -5.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2692 -1.1806 -4.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3728 -1.9769 -4.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1666 -1.5583 -2.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -1.3214 -1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6561 -2.5745 -1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 -2.4959 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8037 -1.4899 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5994 -0.7023 -0.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 -1.3519 1.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -0.4177 1.0992 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5261 -1.0262 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 -1.9888 1.7938 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 -1.9351 3.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 -0.8360 3.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -3.1171 3.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 -4.3092 3.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 -4.0349 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 -3.6652 2.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -3.3965 1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 -2.2438 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 -1.9989 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.8556 -1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 -0.4638 -2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9135 -0.0280 -1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 1.1733 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3672 1.4958 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 2.7043 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7101 2.5038 1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 0.6299 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1919 1.4090 1.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 2.5786 3.1290 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6972 2.3804 3.7427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 4.1363 2.4815 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2076 2.3137 4.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 3.2820 4.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 2.8788 5.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 3.7543 5.8030 N 0 0 0 0 0 4 0 0 0 0 0 0 0.9383 4.7932 4.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 4.3747 7.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 2.9633 5.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -4.4765 -5.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -3.0148 -6.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 -3.9336 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 -3.1717 -4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -2.8968 -3.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 -1.3384 -5.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 -0.9633 -5.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -0.4314 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1231 -0.8001 -3.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 0.8969 -5.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 1.2019 -4.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 2.0816 -2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 3.4108 -2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 3.6640 -4.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5936 1.9856 -5.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5939 2.8830 -3.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8447 0.9670 -3.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 0.4820 -5.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3561 0.1279 -5.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 -1.1450 -3.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8471 -1.7839 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0414 -3.0678 -3.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1212 -2.1261 -4.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9856 -0.8415 -3.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7832 -2.5112 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1859 -1.1524 -0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6879 -0.4965 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -2.8569 -2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -3.4604 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 -3.5096 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 -2.1812 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0012 0.1962 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 -0.1338 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -1.3906 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1097 -3.4185 4.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -2.8405 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 -5.1406 3.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 -4.5884 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 -3.3756 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1902 -5.0424 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -2.7499 3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.5186 3.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -4.2799 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 -3.0527 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -2.4304 0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -1.3380 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 -1.6604 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 -2.9335 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 -1.1326 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 0.0149 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 0.3283 -2.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -1.3499 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 0.2569 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4922 -0.8419 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2993 1.0548 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 2.0843 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8101 0.6037 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9144 1.7026 -1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5407 2.8527 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0385 3.5733 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5197 1.4134 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 3.0138 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3191 2.9044 2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 0.1996 3.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1649 1.3161 2.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 3.3405 3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 4.2576 4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0252 1.8408 5.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9639 2.8522 6.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 4.3824 3.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 5.5165 4.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 5.3787 5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 3.6588 7.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 5.3070 7.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 4.5426 7.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 3.5110 6.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 2.7712 4.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 1.9736 6.2587 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 21 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 6 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M CHG 2 44 -1 48 1 M END