HMDB0296135 RDKit 3D DG(19:0/18:1(12Z)-O(9S,10R)/0:0) 120120 0 0 0 0 0 0 0 0999 V2000 15.1459 3.4981 2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0123 2.1905 2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9856 1.0616 1.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8197 1.1949 0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8925 0.0113 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7761 0.1485 -0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8104 -0.7430 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7460 -1.9750 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5823 -2.2394 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3612 -1.2340 1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2847 -1.7401 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 -0.7405 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3669 -1.3074 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8672 -0.5236 -2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5973 0.1353 -2.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 1.2576 -1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8372 1.2643 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 0.2253 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 0.3838 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.3527 -1.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -0.5890 -0.4221 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 -0.4611 -1.0500 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2109 -1.4753 -2.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 -1.1923 -2.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 -0.3622 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 -0.3042 -0.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 -1.3418 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 -2.4950 -1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -1.0947 -1.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5796 0.2597 -1.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 0.4340 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 -0.5277 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 -0.4298 1.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 0.8645 2.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0074 1.5331 1.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3470 0.9051 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 -0.3489 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8984 -0.8496 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4923 -1.1175 1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8935 -1.6335 1.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7603 -0.6117 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1446 -1.2132 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1067 -0.3047 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6562 -0.0180 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7051 0.8939 -1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7742 2.1521 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5416 3.3356 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9156 4.1040 2.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 4.0523 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0883 2.2582 3.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8989 2.0267 3.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8740 0.0774 2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9236 1.0653 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8618 1.2289 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9422 2.1590 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0668 -0.9201 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8310 0.2025 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7183 1.0602 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0221 -0.5154 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8195 -2.8633 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6922 -2.1201 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7995 -3.2201 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5522 -2.3784 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5503 -0.6607 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9922 0.2626 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -2.1893 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2635 -1.9263 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 -1.2215 -3.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6963 0.2626 -2.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -0.7308 -2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4201 0.4022 -3.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2159 1.7086 -2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8552 2.1597 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 2.2696 -0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7045 1.3767 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 -0.8088 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 0.4209 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 0.5410 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 -2.5131 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3243 -1.3260 -2.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -0.2865 -3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 0.6035 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -1.1418 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -1.8915 -1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9475 -1.1960 -3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5726 0.4503 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 1.0772 -1.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 1.5026 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 0.2736 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7783 -0.5652 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -1.5505 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 -1.3058 2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3716 -0.5645 2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2019 0.7109 3.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 1.5887 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7344 1.9964 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2041 2.4921 2.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8470 0.8402 2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9964 1.6685 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1424 -0.1875 -0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8864 -1.2082 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4431 -0.1043 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8178 -1.8349 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5349 -0.2397 2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8636 -1.8770 2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3036 -1.7061 2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9437 -2.6213 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4152 -0.4408 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7432 0.3645 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4390 -1.4692 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0276 -2.1505 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1052 -0.8283 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1657 0.6357 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4977 -0.9333 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7271 0.6058 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6676 0.3387 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4009 1.0956 -2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9043 3.0201 -1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6624 2.0507 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9056 2.3147 -0.2561 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 10 11 1 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 11 9 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 6 23 79 1 0 23 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 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 46120 1 0 M END