HMDB0112291 RDKit 3D PS(18:1(9Z)/18:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -1.2843 5.8214 9.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 4.3774 9.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 3.4705 8.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0099 2.0108 8.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 1.0819 8.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4382 -0.3741 8.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 -1.2890 7.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 -2.0999 6.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -2.2049 6.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -3.6309 6.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4472 -4.6645 5.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 -4.4482 4.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -5.4431 3.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -5.5642 4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 -4.3333 4.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -3.7315 2.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0178 -2.4750 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -1.7240 1.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4702 -1.9616 1.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 -0.7708 1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -0.0760 0.2340 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8009 1.4254 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 1.6376 0.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 2.8327 1.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 3.8311 1.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 2.8176 1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 4.0902 1.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 4.2603 2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 4.4702 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 3.4919 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6236 3.8893 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 2.9544 -2.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 3.0714 -2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 3.4697 -4.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 3.8410 -4.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 2.9728 -6.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 3.1657 -7.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3470 -8.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 2.5836 -9.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 2.2030 -8.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 2.4869 -9.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 2.1356 -9.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -0.4866 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 0.1706 -2.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 -0.2270 -3.2910 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9542 -1.3996 -4.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.1258 -4.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 -0.6684 -2.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -1.9982 -3.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -2.5437 -2.5997 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7505 -3.9606 -2.9976 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -1.8232 -3.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 -2.4454 -4.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 -0.4766 -3.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3955 5.9639 8.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 6.3910 8.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 6.2844 10.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 4.1178 10.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 4.1894 8.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 3.6510 9.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 3.7121 7.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9166 1.9186 8.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 1.7853 9.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.2670 7.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 1.1660 8.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4642 -0.5145 8.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 -0.5253 9.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -1.2844 8.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -2.7665 6.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7473 -1.9773 5.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7015 -1.5724 6.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 -3.7538 5.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 -3.8710 7.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -5.6497 5.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 -4.7810 6.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 -3.4192 4.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1621 -4.5345 3.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7728 -5.2037 2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -6.4507 3.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0626 -5.9600 5.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 -6.3412 3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -3.5233 4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 -4.6320 4.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 -4.3795 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2951 -3.4710 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -2.7237 3.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -1.7859 3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.3689 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 1.6277 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 2.0055 -0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 1.9350 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 2.5062 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 4.9492 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 4.1879 2.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 3.3895 2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 5.1429 2.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 4.6009 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 5.4844 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 2.4618 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 3.7007 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 4.9293 -1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5314 3.7528 -0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 1.8824 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 3.1123 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5124 2.7968 -2.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 3.5206 -4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 4.8894 -5.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5361 3.9449 -4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 1.9215 -5.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7982 3.2310 -6.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 2.8095 -6.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 4.2168 -7.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 1.2602 -8.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 2.7085 -8.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 2.0922 -10.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 3.6873 -9.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 1.1256 -8.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1291 2.8039 -7.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 3.5881 -9.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 1.9152 -10.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7371 1.7365 -10.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 3.0422 -8.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9909 1.3923 -8.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -1.5905 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -0.0925 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 1.5777 -4.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -2.5852 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 -2.1613 -4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -2.4652 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 -4.4178 -2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 -4.0120 -4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 0.1277 -3.9758 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 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 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 2 0 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 6 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 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 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 47126 1 0 49127 1 0 49128 1 0 50129 1 1 51130 1 0 51131 1 0 54132 1 0 M END