HMDB0253622 RDKit 3D Isocombretastatin A4 43 44 0 0 0 0 0 0 0 0999 V2000 0.2762 -2.6227 1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -1.5010 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6898 -1.0647 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 -0.2908 -0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0931 0.1492 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 -0.1702 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 0.2799 -1.1695 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 1.0642 -2.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1059 -0.9442 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2403 -1.2856 1.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -1.3774 0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -0.7017 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 0.6743 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8727 1.3756 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 2.7207 -0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 3.5223 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0799 0.7178 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 1.4718 -0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 2.0182 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 -0.6504 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3946 -1.3072 -0.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 -2.6784 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0262 -1.3387 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 -3.2032 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -3.0276 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 0.0005 -1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.7540 -2.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 2.0350 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 1.2467 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 0.5507 -3.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2176 -1.8451 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.9849 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 1.2238 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 3.5048 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9774 4.5768 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 3.2737 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2633 2.8056 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8947 2.4500 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0115 1.2254 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -3.3115 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9662 -2.9743 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6166 -2.9474 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 -2.4138 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 2 0 2 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 11 3 1 0 23 12 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 M END