HMDB0288893 RDKit 3D PC(18:3(9,11,15)-OH(13)/2:0) 89 88 0 0 0 0 0 0 0 0999 V2000 11.7507 2.0610 0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6110 1.8041 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3175 0.3822 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1901 -0.5624 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8924 -1.9916 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5849 -2.3455 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 -3.6736 0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 -1.4928 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8809 -0.6760 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7952 0.1923 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 1.0143 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0584 1.9308 0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 1.8557 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 0.5996 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 0.4108 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -0.8378 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 -1.0462 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 0.1021 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -0.1746 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 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0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4635 1.3716 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2849 2.5130 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6260 -0.9871 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1151 -1.5066 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0075 -0.5703 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6907 -2.6678 3.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3977 -1.0714 4.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6308 -2.5498 4.9677 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 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 1 0 37 39 2 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 17 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 22 69 1 0 22 70 1 0 23 71 1 6 24 72 1 0 24 73 1 0 30 74 1 0 30 75 1 0 31 76 1 0 31 77 1 0 33 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 34 83 1 0 35 84 1 0 35 85 1 0 35 86 1 0 38 87 1 0 38 88 1 0 38 89 1 0 M CHG 2 28 -1 32 1 M END