HMDB0297145 RDKit 3D DG(8:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 91 90 0 0 0 0 0 0 0 0999 V2000 -9.8097 -2.5550 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1300 -2.6389 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5265 -1.2487 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6357 -0.3866 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0853 0.9856 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3735 1.9205 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0355 2.4052 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9804 1.3950 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6800 0.9042 1.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2906 0.9579 -1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2544 0.0487 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9866 0.4553 -0.4207 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1661 0.5843 0.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8324 -0.4534 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 0.0118 -0.2513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0368 1.1655 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 1.7676 -1.6793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 1.8022 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.9291 0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.7165 0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 2.1564 -0.3409 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2618 2.9112 0.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6706 1.0746 -1.2364 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7545 0.1618 -1.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 0.4339 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 0.2091 -1.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 -0.4092 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0223 -0.9350 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -1.4191 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -1.9634 1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -2.1045 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6616 -2.6695 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7358 -2.8223 -0.4480 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0006 -4.1787 -0.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 -2.0718 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -0.5989 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8073 0.2168 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4092 1.6702 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3380 1.8314 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0394 -2.4582 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2629 -1.6354 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1764 -3.4514 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0958 -3.3067 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9144 -3.0258 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4986 -1.3012 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7355 -0.8867 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7983 -0.5676 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5229 -0.8862 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1848 0.9893 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2091 1.4675 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2900 1.5410 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0218 2.8571 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0596 3.0260 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 3.1711 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4781 -1.0005 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 0.0531 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 1.4935 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4789 0.0562 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0253 -1.4878 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 -0.5678 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 2.7624 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 2.0848 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.7431 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 -0.0364 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 2.6324 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 1.1818 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 2.8530 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 3.5448 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9639 1.6622 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 -0.7175 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 0.1298 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 0.5630 -2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -0.9115 -2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9133 -0.9023 -1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5302 -1.3335 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6076 -2.3250 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 -1.8059 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7914 -2.9991 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3824 -2.4160 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1558 -4.6783 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3271 -2.4594 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7928 -2.1977 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 -0.2281 -0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8087 -0.4733 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5967 0.1627 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1730 -0.1242 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2946 2.3081 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 1.9913 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3451 2.0219 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 2.6775 2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3185 0.9500 2.3787 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 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 11 55 1 0 11 56 1 0 12 57 1 6 13 58 1 0 14 59 1 0 14 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 6 22 68 1 0 23 69 1 6 24 70 1 0 25 71 1 0 26 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 30 76 1 0 31 77 1 0 32 78 1 0 33 79 1 6 34 80 1 0 35 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 39 89 1 0 39 90 1 0 39 91 1 0 M END