HMDB0296861 RDKit 3D DG(2:0/0:0/20:3(8Z,11Z,14Z)-O(5,6)) 71 71 0 0 0 0 0 0 0 0999 V2000 -7.8114 2.5613 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0604 2.5372 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2102 1.4520 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4468 1.4156 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5617 0.3012 1.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9722 -0.9425 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1523 -1.6724 0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7241 -1.4228 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9577 -2.5812 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -2.4574 1.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 -1.2112 2.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -0.6528 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 -1.1018 1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -2.2828 0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 -1.8103 -0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7405 -0.9601 -1.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 -0.3676 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 0.1322 -1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -0.3825 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 -0.0086 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 -0.5491 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 -1.1962 -1.0773 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.3812 1.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8133 -0.8480 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 -0.2142 0.2027 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0097 -0.6921 0.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 1.2683 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3910 1.8663 -0.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7501 1.8854 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 2.5856 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4367 1.3205 0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7686 2.7359 -2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4836 3.3048 -2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1067 1.5499 -2.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8185 3.5158 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1390 2.3428 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5696 0.4885 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1455 1.6268 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 2.3910 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5123 1.1896 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7431 0.2945 3.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5085 0.5197 1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0307 -1.2620 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6011 -2.5960 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 -1.4902 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3416 -0.4484 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1887 -3.5968 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -3.4177 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -0.3859 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 -1.3921 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 0.3273 2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.4789 1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -2.9009 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 -2.9127 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7372 -2.5315 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.3749 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 -0.1193 -2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 1.2348 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -1.4572 -1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 0.1468 -2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -0.4480 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 1.0830 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8783 -1.9542 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 -0.6128 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 -0.6206 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -1.5635 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8663 1.7074 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5237 1.5694 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 3.4838 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4718 2.7790 -1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4561 1.9325 -2.9293 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 2 0 10 11 1 0 11 12 1 0 12 13 2 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 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 17 15 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 24 64 1 0 25 65 1 6 26 66 1 0 27 67 1 0 27 68 1 0 30 69 1 0 30 70 1 0 30 71 1 0 M END