HMDB0041329 RDKit 3D 5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone 37 38 0 0 0 0 0 0 0 0999 V2000 -3.8244 -1.0444 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -0.3372 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 -0.5132 0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4839 1.1373 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 1.2280 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 1.8715 -1.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 0.5091 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 -0.5070 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 -1.1832 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 -0.8795 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 0.1259 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 0.4537 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 1.3845 -1.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 -0.2736 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0394 0.0136 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1459 -0.7379 0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 0.1731 1.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 0.8261 -0.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 1.8780 -1.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 -0.8601 0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 -1.5511 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 -0.3457 -2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5652 -1.8819 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8208 -0.8127 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2803 0.4203 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 -1.3010 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 1.6850 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 1.4658 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 -1.9988 1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -1.5021 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 -1.0865 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 0.8212 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -1.5315 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 -1.2517 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6381 1.0981 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 1.7153 -2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 2.7927 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 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 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 11 18 2 0 18 19 1 0 8 20 1 0 20 2 1 0 18 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 9 29 1 0 10 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 19 37 1 0 M END