HMDB0241887 RDKit 3D (5E)-7-{4,6-Dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5... 81 81 0 0 0 0 0 0 0 0999 V2000 -7.6037 4.8083 2.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6495 3.7139 2.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3441 2.7931 1.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6477 1.5127 1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3658 0.5266 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4347 -0.5147 1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 0.2038 1.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 -1.5409 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6021 -1.1970 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 -2.1570 -2.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -2.9654 -2.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5079 -4.1068 -1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2269 -4.8902 -2.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -4.9077 -1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 -4.2305 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -4.0369 0.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9571 -2.9160 -1.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9854 -2.0040 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -2.7007 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 -2.2297 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -2.9344 -0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 -2.1007 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 -0.8416 -0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 -0.1176 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 -0.6344 1.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6581 1.0943 -0.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6216 1.7054 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8722 2.9559 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4122 3.8331 2.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3365 3.6266 2.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 5.1199 2.1269 O 0 0 0 0 0 1 0 0 0 0 0 0 6.8114 1.8932 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0282 2.3963 0.2534 N 0 0 0 0 0 4 0 0 0 0 0 0 8.1638 3.8436 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4984 1.8188 1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0569 1.9638 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0518 5.3861 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8798 5.4294 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4682 4.3191 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1404 3.1781 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7424 4.2323 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8756 3.1575 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1117 1.1611 2.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9288 1.0797 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3466 0.0517 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9385 -0.9731 2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 0.6380 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 -2.5748 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5347 -0.0992 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 -1.4826 -3.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3194 -3.8579 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 -5.8145 -2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8074 -5.3014 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2992 -5.8527 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -4.9408 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -4.6943 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 -3.1126 -2.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -1.1315 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 -1.6778 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 -3.6068 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4362 -1.3192 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 -3.8295 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2341 -3.2652 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.8514 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 -2.7283 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -0.1799 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -1.0486 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 1.0394 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7048 3.5051 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 2.7021 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0241 0.8955 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 2.5196 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9665 4.1812 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4567 4.2558 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 4.2759 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 1.3628 2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2154 1.0087 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0209 2.5841 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8864 0.9019 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0498 2.0514 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 2.6423 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 3 9 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 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 27 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 17 10 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 23 66 1 0 23 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 32 71 1 0 32 72 1 0 34 73 1 0 34 74 1 0 34 75 1 0 35 76 1 0 35 77 1 0 35 78 1 0 36 79 1 0 36 80 1 0 36 81 1 0 M CHG 2 31 -1 33 1 M END