HMDB0262143 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)-OH(17)/20:3(5Z,8Z,11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -7.2880 -2.7483 -2.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4872 -3.5774 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5553 -2.8963 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7571 -3.7539 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7841 -3.1890 2.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2224 -1.8016 2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3373 -1.2163 3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6491 -1.7495 5.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1936 -1.6561 5.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 -2.6136 5.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 -3.9899 5.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -4.9539 5.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -5.8797 4.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 -6.1671 3.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -6.1443 2.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 -5.9701 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 -5.7381 1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -4.4000 0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -3.2415 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 -1.9636 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -1.9506 -0.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -0.7105 1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 0.4798 0.6653 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1052 1.1032 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 2.2757 0.4867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 2.9534 0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 2.5006 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 4.1586 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4477 4.4429 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 3.2730 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 3.1291 -2.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 3.2281 -3.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0634 3.4940 -3.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 3.6772 -2.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 3.0673 -1.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 2.0664 -2.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 0.7983 -2.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0217 0.1605 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1586 0.6424 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4183 -0.5852 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 -0.8833 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 -0.1124 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -1.0664 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6858 -1.3751 -2.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 -0.2988 -2.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -1.1878 -3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 -0.3024 -3.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 1.4885 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4332 1.0112 0.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 2.1511 0.0830 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3923 3.3271 0.9911 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0309 1.3554 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0722 2.6843 -1.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 3.3222 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 3.7986 -3.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 4.4676 -4.0881 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5024 -3.2699 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8051 -1.7802 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2607 -2.4767 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9632 -4.5732 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4374 -3.7064 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5799 -2.8342 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0498 -1.9067 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2107 -4.7824 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 -3.8500 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2089 -3.8262 3.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8312 -3.1835 2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1987 -1.7661 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8355 -1.1535 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -0.1036 3.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4583 -1.0510 4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9995 -2.8243 5.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0824 -1.2203 6.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7467 -0.6222 4.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2746 -2.3310 5.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7528 -4.2545 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 -4.0492 6.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 -4.8142 5.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -6.5558 4.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 -7.2457 4.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1934 -5.5886 4.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7504 -6.3313 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 -6.0024 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -6.4954 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 -5.6878 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -4.2992 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 -4.3435 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 -3.3277 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 -3.2875 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 0.1757 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 0.3751 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 1.4201 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 4.1301 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 5.0734 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 4.5953 1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 5.3283 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 3.3373 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 2.3075 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7735 2.9000 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 3.0758 -4.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 2.6319 -3.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1944 4.3814 -3.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6187 4.5107 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5249 3.4038 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2318 1.9318 -3.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7076 2.6264 -2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 0.2074 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5132 -0.8321 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8301 0.9662 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 1.4256 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1024 -1.3180 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 -1.8375 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 0.7334 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3907 0.1400 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 -1.9281 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 -0.4854 -2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 0.4771 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 0.1711 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -1.6053 -3.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 -1.9686 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 0.4950 -3.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 -0.9443 -4.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4823 0.1471 -4.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 1.9435 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 2.3452 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6936 2.0776 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 4.2473 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 2.7190 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6247 2.9348 -4.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2239 4.4901 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 3.8270 -4.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 4.5939 -3.3880 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 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 2 0 20 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 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 M END