HMDB0289271 RDKit 3D PC(DiMe(9,3)/18:1(12Z)-2OH(9,10)) 137137 0 0 0 0 0 0 0 0999 V2000 -1.7411 -6.6479 6.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 -7.6955 5.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 -7.4470 4.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 -8.4341 3.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -8.3696 2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -7.3286 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 -6.2471 1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -5.7060 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0669 -5.5694 0.6653 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1721 -5.0553 1.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 -4.5855 -0.4367 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3674 -3.3490 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -4.3737 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -3.4518 -2.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -2.0652 -2.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 -1.1920 -3.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6658 0.1652 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4649 1.1631 -4.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 0.7392 -4.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 0.5743 -4.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 0.2258 -5.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 0.7553 -3.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 0.5557 -2.6361 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2935 1.6569 -1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 2.9059 -2.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1283 3.0797 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 1.9895 -4.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 4.2756 -4.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 4.4061 -5.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 4.5380 -5.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 5.7076 -5.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 6.0804 -3.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 7.4201 -3.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 8.0370 -2.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 7.4216 -1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 6.0957 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 4.9599 -0.9379 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 3.9586 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 2.5397 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 2.2127 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 3.1364 1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 4.4042 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1971 3.6410 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 5.7527 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 6.6659 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6694 -0.6700 -1.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8736 -0.4854 -0.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -1.8680 0.3612 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6641 -3.1029 -0.4382 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5053 -1.9362 0.9887 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8600 -1.7901 1.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -2.4719 2.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -2.4170 3.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1081 -1.1066 4.4278 N 0 0 0 0 0 4 0 0 0 0 0 0 0.1756 -1.1816 5.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 -0.5440 3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1798 -0.1592 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 -7.0328 7.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -6.4126 6.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -5.7152 5.7913 H 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 -2.3132 -1.5438 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 -0.9316 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4205 -3.5400 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3566 -2.1381 2.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -3.0175 4.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 -2.9182 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -1.5877 6.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -0.2051 6.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -1.9150 6.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5165 -1.2493 3.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 0.4285 3.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 -0.3742 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 0.8285 4.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.0384 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 -0.4201 4.9466 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 38 42 2 0 42 43 1 0 42 44 1 0 44 45 1 0 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 44 36 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 6 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 6 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 41116 1 0 43117 1 0 43118 1 0 43119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 50 -1 54 1 M END