HMDB0285779 RDKit 3D PC(18:3(9,11,15)-OH(13)/14:1(9Z)) 123122 0 0 0 0 0 0 0 0999 V2000 2.3514 -2.6096 -4.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -1.4082 -4.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -0.7537 -3.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0237 -0.6371 -2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 0.0264 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 1.2510 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 2.1065 -1.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 1.9147 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 1.6089 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 2.2567 2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 1.9828 4.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 2.4321 5.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2091 3.4937 5.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 4.9088 5.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 5.4561 3.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 5.5452 2.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 6.3719 2.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 6.0659 4.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9755 4.7234 3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7504 4.3278 4.8355 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 3.8561 2.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 2.5498 2.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 1.8385 1.5930 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1072 2.5575 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 1.8510 -0.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 2.6373 -2.2169 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3961 4.0245 -2.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 2.8035 -2.4314 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3184 1.7829 -3.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 2.5309 -4.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 1.7119 -5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 1.2568 -6.2425 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3493 -0.0664 -6.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 1.1763 -5.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 2.1167 -7.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3246 0.5291 1.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 -0.6170 1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 -0.4549 1.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 -1.9778 1.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -2.6214 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -2.7350 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 -3.3846 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 -3.6042 -2.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -4.5297 -1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 -4.3068 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -5.3331 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -5.0046 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -3.6459 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -3.2171 1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 -3.2547 2.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -4.5874 2.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -2.9877 -4.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 -3.4462 -5.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 -2.2987 -5.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 -1.8186 -4.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -0.6911 -5.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 -0.3601 -3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 -1.0419 -2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 -0.6818 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 0.3096 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 0.9603 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 2.7309 -1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 2.6454 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 0.8734 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 2.9623 2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 1.1789 4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7486 1.5240 5.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 2.7322 6.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 3.1824 4.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 3.4077 6.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 5.0666 5.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 5.5353 5.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 5.0038 3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 6.5452 4.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 4.5467 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 5.9363 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 6.2002 1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 7.4767 2.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2765 6.8315 3.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 6.3316 5.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 2.6150 2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 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0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -1.6594 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 -3.1641 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0771 -4.4082 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 -2.7818 -2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5194 -3.9160 -3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 -2.5600 -2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3271 -5.6246 -1.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -4.5778 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 -4.5918 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -3.2895 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 -6.3727 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 -5.8138 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -3.5267 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -2.8443 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1151 -2.1468 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -3.8669 1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3425 -2.7938 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -2.5472 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -5.3877 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -4.6671 2.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3581 -4.6980 4.0166 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 19 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 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 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 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 1 24 84 1 0 24 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 33 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 35 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 51123 1 0 M CHG 2 28 -1 32 1 M END