HMDB0286677 RDKit 3D PC(18:1(12Z)-2OH(9,10)/18:3(6Z,9Z,12Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -10.9405 6.2282 -2.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8219 5.9706 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9774 5.7684 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0675 4.6040 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7908 3.2926 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6754 2.9027 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6508 1.8272 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6043 0.7903 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7759 0.5766 2.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4908 0.7664 2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6311 1.2277 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5693 0.2744 0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 0.5945 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9055 1.9423 1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1676 2.8479 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 2.7772 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 1.6853 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 0.4651 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.2696 1.3727 O 0 0 0 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0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 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 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 1 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 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 31100 1 0 32101 1 0 32102 1 0 33103 1 1 34104 1 0 35105 1 1 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 49 -1 53 1 M END