HMDB0289618 RDKit 3D PC(18:3(10,12,15)-OH(9)/P-18:0) 136135 0 0 0 0 0 0 0 0999 V2000 -4.4403 9.7969 -5.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 8.6019 -5.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 8.7460 -5.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 8.7705 -4.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0973 8.9164 -4.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 7.7263 -4.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 6.9227 -4.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 5.7901 -4.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 4.9105 -4.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 3.7803 -4.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 2.6180 -4.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 3.7382 -4.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 2.6127 -3.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 1.2330 -4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 0.8602 -5.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0584 -0.5456 -5.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 -0.6269 -5.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 -1.9493 -5.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 -3.0264 -4.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4088 -2.8882 -4.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6635 -4.1854 -4.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9493 -5.2665 -3.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 -4.7509 -2.5419 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2249 -5.9394 -1.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 -5.4548 -0.2963 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -6.6743 0.8993 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8494 -6.9555 1.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7494 -8.0610 0.2426 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5144 -6.0606 2.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 -4.7243 2.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 -4.0653 3.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -2.7056 3.7539 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8107 -2.3774 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 -2.3109 5.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -1.8398 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 -3.9890 -2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 -4.2099 -2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -3.5775 -2.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 -3.7715 -2.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 -2.4127 -2.4105 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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 38 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 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 0 22 85 1 0 23 86 1 6 24 87 1 0 24 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 33 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 35101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M CHG 2 28 -1 32 1 M END