HMDB0298425 RDKit 3D DG(18:1(12Z)-O(9S,10R)/0:0/i-12:0) 99 99 0 0 0 0 0 0 0 0999 V2000 13.3789 -1.0896 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0833 -0.4096 0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8477 1.0326 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 1.3524 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3516 0.9164 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0824 1.5926 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8242 0.9965 2.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -0.4552 2.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3503 -0.7976 2.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 -2.1390 2.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5647 -1.6164 1.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0976 -1.2618 1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 0.1897 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 0.6915 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.0901 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 0.3891 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 0.2125 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2587 0.6623 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 -0.1740 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 0.1852 -1.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 -1.3601 0.1238 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -2.2319 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 -1.5443 -1.5753 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1355 -2.4587 -2.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7851 -1.2489 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8325 -0.7031 -1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7704 0.4826 -2.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 1.1716 -2.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9459 1.0160 -2.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7819 1.7871 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0153 2.3907 -2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8947 1.3370 -3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3921 0.3108 -2.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2144 0.8840 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6924 -0.2117 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5194 0.3782 1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9716 -0.7481 1.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7933 -0.1652 3.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8501 -1.6691 1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0493 -1.9448 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8541 -0.3989 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4534 -1.4852 -1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2879 -0.9713 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9719 -0.5028 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8128 1.6464 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7822 1.4033 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9369 0.9794 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6695 2.4804 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 -0.1607 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6484 1.3135 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1017 2.6983 0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 1.5787 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4954 -0.7352 3.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.0668 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -0.0265 3.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0432 -1.9801 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 -1.3159 2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5409 -1.9505 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6269 0.8387 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 0.2937 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 0.7425 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 1.7429 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 -1.1890 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5025 -0.0002 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 -0.1523 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.4809 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -0.8526 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 0.7529 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 1.7408 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 0.4457 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -3.0429 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -2.6857 -1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2922 -0.6206 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5101 -2.4224 -3.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 -0.5079 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -2.1966 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5279 0.1385 -3.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 1.6670 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0702 1.1426 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1855 2.6582 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 3.1753 -3.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5774 2.9025 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4356 0.8631 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8013 1.8835 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9501 -0.4622 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4855 -0.2153 -1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0921 1.3974 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6025 1.6299 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2372 -0.9802 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7686 -0.6653 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8271 1.0068 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3609 0.9567 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0663 -1.2712 2.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2677 0.7721 2.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6230 -0.8673 3.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2175 -0.0056 3.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4657 -2.2563 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2539 -2.3419 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5180 -1.0025 0.5267 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 23 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 37 39 1 0 11 9 1 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 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 22 71 1 0 22 72 1 0 23 73 1 6 24 74 1 0 25 75 1 0 25 76 1 0 29 77 1 0 29 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 39 99 1 0 M END