HMDB0301805 RDKit 3D 3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid 51 51 0 0 0 0 0 0 0 0999 V2000 -5.9938 0.9690 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8685 1.8888 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4553 1.6496 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2506 1.2982 -1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 1.0984 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -0.3381 -0.6654 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9061 -1.2207 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -1.7330 -1.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 -1.3373 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -1.2430 1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 -0.8309 0.3147 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4349 -0.0008 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 0.3217 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 -0.9234 -1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -1.7602 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 -1.0390 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8316 -0.5927 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 0.1198 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4064 1.2529 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0511 2.2741 0.1601 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 1.1745 2.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6829 -0.0810 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2207 1.2300 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8843 1.1234 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 2.9212 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1206 1.9327 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2278 1.7799 -1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 1.1311 -2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 1.7532 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 1.3878 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.5169 -1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -2.3072 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5263 -0.5203 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -2.1821 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 -0.4601 2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 -1.8230 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 0.9497 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -0.5532 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 0.8701 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 0.9934 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 -0.6032 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 -1.5949 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 -2.6698 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -2.1665 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 -0.1792 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -1.7680 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 0.1250 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 -1.4115 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 0.4323 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 -0.6354 0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 1.8148 2.7077 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 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 11 6 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 6 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 6 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 21 51 1 0 M END