HMDB0003797 RDKit 3D Bovinic acid 52 51 0 0 0 0 0 0 0 0999 V2000 7.8019 -0.5975 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0869 0.8188 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0442 1.4346 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 1.5850 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9612 0.3907 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6026 0.9326 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 -0.1499 1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5739 -0.3669 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 -1.4174 0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4709 -1.6377 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -0.8414 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -0.1502 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2842 -1.1550 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6305 -0.5493 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 0.2442 -0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5077 0.8783 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5714 -0.1144 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8283 0.6349 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8858 1.9032 0.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0129 -0.0052 0.5458 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7586 -1.2179 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0299 -1.0076 -0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -0.6926 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1087 0.8660 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2289 1.4024 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 0.9532 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 2.4862 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 2.2814 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 2.1417 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 -0.1160 0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -0.3169 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 1.7084 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 1.4496 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 -0.7716 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 0.2820 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 -2.0763 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.4801 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 -1.6181 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -0.1534 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 0.5943 -1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 0.4608 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -1.7865 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4187 -1.8470 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2648 -1.4303 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 0.0572 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 1.1010 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 -0.3557 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 1.6387 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8175 1.3983 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 -0.7884 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3586 -0.7060 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7987 -0.0870 -0.0836 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 1 0 7 8 2 0 8 9 1 0 9 10 2 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 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 20 52 1 0 M END