HMDB0041316 RDKit 3D Cinnamyl butyrate 31 31 0 0 0 0 0 0 0 0999 V2000 5.1007 -0.6329 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4946 0.2721 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 1.0508 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 0.1653 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -1.0764 0.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 0.6454 0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -0.2615 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4613 -1.0060 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -0.9908 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 -0.3057 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8059 0.0650 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9755 0.6291 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2638 0.8706 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 0.4976 1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -0.0786 1.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 -0.6809 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -0.2319 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6922 -1.6583 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 1.0097 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 -0.3159 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 1.6026 0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0054 1.7822 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 -0.9473 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 0.4323 1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -1.6309 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -1.6159 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 -0.1032 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7529 0.9232 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1994 1.3219 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 0.6724 2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 -0.4036 2.1458 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END