HMDB0037190 RDKit 3D Rhodinyl isovalerate 45 44 0 0 0 0 0 0 0 0999 V2000 6.4681 0.4421 -1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5182 1.0322 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 2.0837 0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 0.6498 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.0959 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 -0.2606 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 -0.8298 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -2.0861 1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 -1.2279 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 -0.0437 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 -0.5353 -0.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 0.2953 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 1.5197 -0.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5748 -0.1714 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6187 0.2062 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9444 -0.3586 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 1.7037 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 0.7117 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 -0.3065 -2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 3.0770 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 1.9215 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1924 1.9854 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 1.5371 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -0.1059 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 0.9061 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0031 -0.7463 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 0.6897 -0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 -0.9389 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -0.1053 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -1.8581 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -2.5537 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 -2.8271 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 -2.0601 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 -1.6603 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 0.3332 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 0.7936 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6081 -1.2692 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8434 0.3045 -1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4475 -0.1768 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9023 -0.2852 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9501 -1.4299 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7955 0.2198 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 2.0733 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 2.1328 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5425 1.9357 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 M END