HMDB0264288 RDKit 3D PA(18:3(9Z,12Z,15Z)/18:3(10,12,15)-OH(9)) 114113 0 0 0 0 0 0 0 0999 V2000 -16.1055 -1.7960 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3560 -1.6069 -0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8764 -0.2223 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6363 0.1619 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5337 -0.8712 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7874 -0.8187 -2.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5266 -0.6020 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4897 -0.3603 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7137 -0.3788 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5445 0.6332 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0863 1.9525 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8164 2.3709 1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 1.5059 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0083 1.3058 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4279 2.5542 -0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 3.1656 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2443 2.2504 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 1.8307 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 2.3159 -1.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 0.8631 -0.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 0.3501 -1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2636 -0.7594 -0.9276 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5608 -2.0095 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 -1.7394 0.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -3.0622 0.9399 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4506 -4.3107 1.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9926 -2.8018 2.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -3.1524 -0.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0938 -0.4830 0.1439 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 -0.6581 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -1.1094 -0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 -0.3617 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -1.4953 1.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -1.9173 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 -1.0166 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 -0.4364 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9311 0.4203 1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 1.0436 2.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 1.9984 1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1166 3.0608 1.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7009 1.4920 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7204 0.6353 0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4299 0.1829 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4373 -0.6625 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 -1.1515 -1.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6004 -0.7462 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1384 0.0309 -2.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5440 0.4564 -2.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1663 -0.1342 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1245 -1.3860 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5906 -1.2347 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2119 -2.8719 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1145 -1.7575 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6656 -2.4200 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6398 0.6041 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3476 1.2271 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9822 -1.8648 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9660 -0.6768 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4002 -0.9869 -2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1723 -0.6048 -3.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6782 -1.1594 -1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9215 0.5692 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0086 -1.3441 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7481 0.5352 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0656 2.1683 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8618 2.6825 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1455 2.3736 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6762 3.4373 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8408 1.8750 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9176 0.5087 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1824 0.5568 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7336 0.8782 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1586 3.3011 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8812 2.2420 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 4.0973 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 3.4864 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6191 1.3092 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 2.7543 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0688 0.0956 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 1.1928 -1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -1.0944 -1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -2.8556 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 -2.3232 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -2.2911 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 -3.1890 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 -0.1775 2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 0.5964 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6268 -1.3686 2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 -2.3884 1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 -2.7540 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -2.4889 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -0.1875 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 -1.6049 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9223 -1.2842 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 0.0399 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4376 -0.2435 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1416 1.1763 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6511 0.2272 3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 1.6095 3.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6707 2.4826 2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3269 3.9063 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4649 1.8246 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0054 0.2872 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1184 0.5494 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7055 -0.9917 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 -2.2598 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7334 -0.7242 -2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1701 -1.0873 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 0.3995 -2.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6541 1.5630 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1636 0.1129 -2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1390 -1.2600 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2531 0.1115 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6910 0.1826 0.1583 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 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 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 39 40 1 0 39 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 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 21 79 1 0 21 80 1 0 22 81 1 6 23 82 1 0 23 83 1 0 27 84 1 0 28 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 42103 1 0 43104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 49114 1 0 M END