HMDB0289825 RDKit 3D PC(P-18:1(9Z)/18:3(10,12,15)-OH(9)) 134133 0 0 0 0 0 0 0 0999 V2000 5.6214 4.0063 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3718 2.5729 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 2.4969 1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 2.1427 2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 2.0323 3.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 2.3560 2.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 3.3776 2.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 3.7635 2.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2964 4.8081 2.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4498 5.4037 1.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2925 4.3272 1.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 6.3627 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 5.9930 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 5.3463 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5713 6.0149 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 5.0749 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8932 4.9527 -2.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 3.9787 -2.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6662 2.6121 -2.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 2.3437 -1.6318 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 1.4939 -2.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 0.2011 -1.9351 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9362 -0.5257 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4244 -1.8206 -0.6676 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 -1.9843 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -2.6854 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -2.9573 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 -2.3399 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -2.6276 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 -1.9972 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9215 -2.1829 -1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5518 -1.6736 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1093 -2.2930 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5913 -1.6868 1.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3557 -0.2477 1.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 0.4001 3.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8119 -0.1170 4.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3989 0.0075 4.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 -0.5135 6.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6382 -1.9573 6.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 -2.8198 5.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0874 -4.2891 5.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -0.5846 -3.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 -0.5957 -3.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 -1.4176 -5.2920 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6201 -2.2168 -5.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -0.3017 -6.5648 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0612 -2.5304 -5.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.7465 -6.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 -3.7538 -6.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 -5.0235 -6.0583 N 0 0 0 0 0 4 0 0 0 0 0 0 2.5681 -4.9631 -4.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -5.7668 -5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -5.8222 -6.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8446 4.0536 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 4.6380 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5234 4.4448 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 1.9389 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 2.3511 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1469 2.7349 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 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43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 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 1 23 85 1 0 23 86 1 0 25 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END