HMDB0289272 RDKit 3D PC(18:1(12Z)-2OH(9,10)/DiMe(9,3)) 137137 0 0 0 0 0 0 0 0999 V2000 -3.8077 1.8705 -8.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 0.6743 -8.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9664 -0.5394 -8.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6713 -1.7870 -8.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 -3.0256 -7.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -3.2372 -8.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -3.3501 -7.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -3.2710 -5.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -2.2648 -5.1835 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3463 -2.6098 -5.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -0.8277 -5.5973 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7579 -0.5779 -6.8976 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 0.0736 -4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 1.5272 -5.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 2.3584 -4.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 3.7955 -4.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 4.5784 -3.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 4.5955 -2.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 5.2462 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 4.4242 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 4.0865 -1.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 4.0058 0.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 3.2018 1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 3.0211 2.9040 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7601 2.0893 3.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 1.9383 4.9126 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 0.8904 5.8393 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6179 0.8187 5.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 1.2695 7.4842 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5037 -0.6607 5.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 -1.0635 6.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2286 -2.4334 6.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 -2.8433 7.8466 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2195 -2.3622 9.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1878 -2.2905 7.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4112 -4.2821 7.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 2.4437 2.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 3.1667 3.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 4.3537 3.7948 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 2.7928 3.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5282 1.6062 2.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 1.4761 1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2694 1.2782 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 0.0132 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.2329 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 -1.7889 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 -2.2633 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -3.4411 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -4.0530 1.8454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 -5.0804 2.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 -6.0058 2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -5.6924 2.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 -6.6754 2.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -5.1262 3.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 -6.0895 4.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 -4.0856 3.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -3.7867 4.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 2.7627 -8.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 1.6830 -7.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 2.0470 -8.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 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0 0 0 -1.5460 -1.5205 2.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -2.6220 2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -7.0504 2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9673 -5.7945 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -5.7882 4.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -4.6781 2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 -7.0592 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 -6.1635 2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -7.4943 3.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -7.1223 4.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 -6.0352 5.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 -5.8880 5.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8488 -4.4285 4.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2786 -2.7443 4.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -3.9602 5.7354 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 48 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 1 10 74 1 0 11 75 1 6 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 25 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 55132 1 0 55133 1 0 55134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 29 -1 33 1 M END