HMDB0007387 RDKit 3D DG(20:1(11Z)/15:0/0:0) 115114 0 0 0 0 0 0 0 0999 V2000 -14.5500 -2.6539 2.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8258 -1.6613 3.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9889 -0.2719 2.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9742 0.6351 2.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1380 0.3674 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0357 -0.6253 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4014 -0.6407 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2731 -1.6098 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2225 -1.2701 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9887 -0.9648 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -0.9195 -0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9842 0.4967 -1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 0.5624 -2.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9233 1.8135 -3.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6144 2.3076 -2.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0128 2.5052 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 1.3714 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6088 0.4510 -1.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 1.2122 -1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 0.2827 -2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.9439 -2.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6759 0.6691 -3.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6661 0.0770 -3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 -0.8328 -3.1681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1235 -2.1475 -2.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 -2.7664 -3.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 -0.2316 -2.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 0.0817 -2.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -0.1720 -3.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.7022 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7951 1.2963 -1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6409 1.9054 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 0.8111 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9735 1.4749 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5223 0.4850 2.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3571 -0.6099 1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4753 0.0407 0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3878 -0.8628 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2709 -1.8182 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3672 -1.3481 1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1636 -0.5993 2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4259 -1.3527 3.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 -0.4738 5.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4407 -3.3488 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6577 -3.2707 2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4074 -2.2396 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7571 -2.0213 3.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0373 -1.7652 4.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8764 -0.2607 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5234 0.3104 3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4751 1.6736 2.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2511 0.9375 3.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6836 1.3206 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8213 0.0615 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2148 -0.1993 1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2156 -1.6025 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1544 0.3871 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1725 -0.9949 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9272 -1.8731 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7130 -2.5924 0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4326 -1.2594 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2515 -0.7226 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1939 -1.1796 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6301 -1.6195 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4179 0.9459 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9979 1.0931 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4498 0.3687 -3.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9007 -0.3464 -2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9815 1.8364 -4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 2.6421 -2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5499 3.3680 -3.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 1.7573 -3.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7719 3.1073 -0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.2437 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 1.8288 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 0.7461 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -0.2773 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 -0.1244 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 1.5209 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5786 2.1170 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 0.9253 -4.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -0.4112 -4.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0583 -3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5995 -2.1564 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9695 -2.9017 -2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 -3.6593 -3.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 -0.0691 -0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 1.5433 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 2.0926 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 0.5593 -2.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 2.4965 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 2.5644 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 0.3914 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 0.0899 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3054 2.1613 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 2.0730 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6827 -0.0265 2.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 1.0023 3.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7133 -1.2867 2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6639 -1.1439 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 0.6740 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0079 0.7169 1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7205 -1.4277 -0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9869 -0.2172 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7630 -2.4348 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6462 -2.6277 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0382 -2.2404 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0262 -0.6933 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8604 0.4425 2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2258 -0.4888 3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0950 -2.2275 4.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -1.7667 3.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1728 -1.1326 6.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3351 0.1077 5.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1525 0.2146 5.3173 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 1 0 7 8 1 0 8 9 1 0 9 10 2 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 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 24 27 1 0 27 28 1 0 28 29 2 0 28 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 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 23 81 1 0 23 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 26 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 43115 1 0 M END