HMDB0290491 RDKit 3D SM(d18:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 136135 0 0 0 0 0 0 0 0999 V2000 -4.8148 -1.8489 9.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3371 -2.4685 7.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -2.1106 6.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8856 -3.0021 5.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 -4.4603 6.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -4.9847 6.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 -5.8877 5.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5486 -6.5728 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6404 -6.2522 3.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 -5.6632 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 -5.2206 2.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 -3.7628 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 -3.1863 0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 -3.9034 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2256 -3.1957 -1.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 -1.7521 -1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4971 -1.3004 -1.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 -1.1207 -2.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2648 0.3333 -2.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 1.3037 -2.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 1.2434 -3.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 1.7919 -2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 1.9874 -3.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 1.7709 -4.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 2.4500 -2.2299 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 2.7202 -2.7580 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7710 4.2387 -2.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 4.6860 -3.2285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 6.3981 -3.2034 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2138 6.8445 -1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 6.9821 -4.2898 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4083 6.8700 -3.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 6.7134 -5.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8014 7.1322 -5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 7.0084 -6.7507 N 0 0 0 0 0 4 0 0 0 0 0 0 0.4423 8.2971 -7.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 6.4627 -6.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 6.1343 -7.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 1.9885 -2.1451 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9121 2.6021 -2.7463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 0.5664 -2.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -0.4366 -2.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 -1.7979 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -2.9242 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1457 -3.4863 -1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -2.6983 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.6107 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -4.3103 1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 -3.4350 2.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -2.6876 3.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 -1.8176 4.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -1.0796 5.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 -2.0555 6.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 -1.3405 7.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -0.4683 8.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3969 -2.3040 9.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -0.7646 9.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 -1.9893 9.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3666 -2.0540 7.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4918 -3.5282 8.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4184 -1.0403 6.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -2.6550 5.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 -4.7824 7.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3034 -4.9128 5.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -4.5725 7.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -6.2153 6.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 -6.3764 4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4025 -7.6881 4.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -6.5249 3.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -5.4681 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1598 -5.5220 2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 -5.7235 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 -3.1670 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -2.1047 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -4.9891 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 -3.7653 -2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 -1.2394 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8688 -1.9612 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 -1.4089 -3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8826 -1.5501 -3.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 0.5511 -2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 2.3263 -2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 1.9433 -4.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 0.2295 -3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 2.7474 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 1.0573 -1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0703 2.5626 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 2.4683 -3.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 4.5621 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8622 4.6766 -3.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 7.3033 -5.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 5.6586 -5.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7252 8.2295 -5.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 6.5506 -4.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 8.1855 -8.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 8.9890 -6.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 8.7180 -7.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 5.8561 -5.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 5.7751 -7.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 7.2816 -7.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 5.1515 -7.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2989 6.6081 -7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 5.9036 -8.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 2.1731 -1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 2.7268 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 0.2332 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 0.4065 -3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5698 -0.4401 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -0.1656 -2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -2.0595 -2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3843 -1.6616 -3.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -2.6820 -2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -3.7556 -3.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -4.0357 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 -4.3657 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 -2.1525 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -2.0334 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 -3.0818 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -4.3930 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 -4.9314 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -5.0867 2.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 -2.6700 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 -3.9867 2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -2.0993 3.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -3.4757 4.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -1.0687 3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -2.4419 4.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -0.3429 4.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -0.5319 5.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 -2.7319 6.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 -2.6963 5.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -0.7276 7.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5049 -2.1181 8.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 -0.1892 9.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -1.0543 8.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 0.4473 7.5628 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 39 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 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 25 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 36 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 38103 1 0 39104 1 1 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 M CHG 2 31 -1 35 1 M END