HMDB0294584 RDKit 3D DG(18:3(10,12,15)-OH(9)/0:0/10:0) 91 90 0 0 0 0 0 0 0 0999 V2000 13.2354 3.5437 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5767 2.9478 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7932 1.7410 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9093 1.2993 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1163 0.0789 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6781 0.4627 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8031 -0.0749 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 0.2948 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5301 -0.2521 1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1065 0.1577 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 1.4541 0.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 -0.7081 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -2.1685 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 -2.3867 2.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -2.1357 2.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 -2.9871 1.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 -3.2200 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9341 -2.0882 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 -1.3181 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0053 -1.7177 0.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 -0.2324 -1.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 0.5767 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 0.0015 -1.5616 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9636 -0.3495 -2.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 -1.1789 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8643 -1.5624 -1.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9721 -0.7681 -1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 0.3578 -0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3051 -1.2216 -1.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0404 -1.8863 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3029 -1.0479 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1572 0.1911 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3247 0.9124 1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0201 2.1887 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4275 2.2791 1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8146 1.9835 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0886 2.8542 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4953 2.8410 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1918 3.8578 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8593 4.4808 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6563 2.6280 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4574 3.6758 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9209 1.2035 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7598 1.8323 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2437 -0.6867 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -0.3344 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3547 1.2072 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1788 -0.8264 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 1.0489 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9004 -1.0030 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 0.2205 2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 2.1341 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.5968 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 -0.3432 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -2.7351 -0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -2.4989 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -3.4414 2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 -1.7054 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -2.1004 3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 -1.0738 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 -4.0475 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 -2.7799 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -3.8994 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -3.8779 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.4381 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 -2.5713 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 0.7984 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 1.5938 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 0.8484 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 -0.2751 -3.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -2.0664 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 -1.1100 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1058 -1.9868 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8703 -0.4086 -2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3788 -2.7338 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9505 -2.3914 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3775 -0.7387 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9065 -1.6352 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1390 -0.1992 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6740 0.8428 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2635 0.9932 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7803 0.1614 2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3861 2.9554 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8634 2.5905 2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0712 1.5766 1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7752 3.3381 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8487 0.9519 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9139 2.3991 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3722 3.9187 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4546 2.6008 -2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0046 2.7848 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 17 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 22 67 1 0 22 68 1 0 23 69 1 6 24 70 1 0 25 71 1 0 25 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 37 91 1 0 M END