HMDB0037321 RDKit 3D Oleacein 43 43 0 0 0 0 0 0 0 0999 V2000 5.0629 2.3744 1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3369 1.4384 0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 0.5684 1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 0.5188 2.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 1.2795 3.4355 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 -0.3681 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 -0.3760 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 0.8497 -1.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 0.8333 -3.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -0.0878 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3746 -0.9358 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4409 -0.9366 -1.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -1.8272 0.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -2.6126 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 -1.9051 -1.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -1.0046 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4408 -1.5330 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 -0.7885 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1977 0.5396 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 1.3336 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 1.0983 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7365 2.4502 0.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 0.3135 -0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 3.1061 2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 3.0045 1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 1.9011 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 1.4793 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -0.1832 3.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -1.3807 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -1.2038 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 -0.6854 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 1.7534 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 -0.2451 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 0.9899 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -3.3838 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0351 -3.2257 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7005 -1.3256 -2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 -2.6907 -2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 -2.5894 -0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3819 -1.2052 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0796 0.9507 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 2.9728 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0565 0.7381 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 6 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 23 16 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 10 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 20 41 1 0 22 42 1 0 23 43 1 0 M END