HMDB0010217 RDKit 3D 5-KETE 53 52 0 0 0 0 0 0 0 0999 V2000 -6.9865 0.5318 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3123 -0.6409 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0195 -0.4224 1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6592 -0.2039 2.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8562 0.9532 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 0.9138 2.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4156 0.8022 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 0.6972 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 1.8225 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 1.5518 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 0.1830 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.0087 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 -0.2678 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9358 -0.4330 -1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 -0.7164 -2.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 -0.8993 -1.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3817 -1.1598 -2.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 -0.7704 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6109 -0.9101 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 0.1670 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8362 -0.0669 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 -0.9732 0.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1531 0.6993 1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9599 1.5051 -0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0868 0.4349 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8147 0.6968 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4311 -0.8054 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8851 -1.5945 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4282 -1.3199 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6649 0.4364 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 -1.1218 2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7276 -0.0634 3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 0.9953 0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3302 1.9415 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6846 0.9905 3.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 0.7850 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 -0.2893 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 0.8812 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6862 2.8693 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 2.3515 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 0.1031 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -0.6340 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 0.1220 -2.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -0.3728 -3.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9983 -0.3575 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -0.8063 -3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 -1.5926 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 0.2198 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -1.9241 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4475 -0.7333 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 0.2150 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 1.1755 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 0.4423 2.6482 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 2 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 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 23 53 1 0 M END