HMDB0294427 RDKit 3D DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 95 94 0 0 0 0 0 0 0 0999 V2000 5.3817 5.1090 1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 5.2228 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9776 4.1293 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3223 2.7654 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3663 1.6936 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7234 0.3007 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 -0.6987 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4429 -2.1354 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 -2.6700 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -2.0663 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 -1.6908 -1.6924 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 -1.9052 0.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 -1.4043 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -2.2323 0.4174 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8195 -1.4563 0.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 -2.7618 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7552 -3.5734 -1.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -4.7324 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3371 -5.1162 0.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 -5.5804 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -5.1730 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 -3.8072 -1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 -3.5391 -3.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -3.3062 -2.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 -3.2716 -1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6687 -1.9146 -1.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4087 -1.0990 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5883 -1.2800 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 -0.5142 0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 0.4893 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 0.9993 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 2.3105 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1308 3.2957 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8599 3.2595 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 3.6209 1.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2934 2.6345 1.3867 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8897 1.3870 1.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5487 3.0017 2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0650 4.3802 1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 4.4126 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 4.7379 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3681 6.1211 2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 6.1958 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 5.1041 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 4.1540 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4132 4.1619 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 2.6711 1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 2.6923 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8171 1.8097 -0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1453 1.8007 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 0.2134 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 0.2526 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 -0.5048 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2710 -0.5679 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3954 -2.7170 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1615 -2.3561 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8376 -2.5869 -1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3293 -3.7701 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -0.3801 0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0971 -1.1664 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 -3.1114 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 -0.6782 1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7669 -3.4649 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -1.9356 -1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -5.5198 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 -6.6343 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 -5.1939 -2.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 -5.9514 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -3.0547 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6366 -3.6121 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 -3.5317 -4.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8636 -3.1171 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9786 -3.9958 -1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 -3.5674 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -1.5679 -2.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 -0.1114 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2836 -2.3799 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3285 -1.2747 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -0.8137 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 0.9752 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8101 0.2228 -1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 1.0819 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 2.5048 -2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5588 4.2658 -0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 2.3150 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 4.0989 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 4.6505 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 3.6237 2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4759 2.5605 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5683 0.9323 2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3339 2.2233 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 2.9903 3.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1763 4.2871 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6559 4.7641 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 5.0705 2.6456 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 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 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 0 13 60 1 0 14 61 1 1 15 62 1 0 16 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 6 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END