HMDB0037177 RDKit 3D 1-(2,4,5-Trihydroxyphenyl)-1-butanone 26 26 0 0 0 0 0 0 0 0999 V2000 3.0929 -1.0752 1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 -0.8455 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -0.8461 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 0.2153 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 0.9577 1.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 0.3823 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 1.4069 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4893 1.6428 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 2.6577 0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 0.8555 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 1.1169 -1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 -0.1490 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 -0.4078 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2505 -1.4217 -1.7077 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -1.6109 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 -1.6896 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 -0.1304 2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 0.1077 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -1.7150 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 -1.8492 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8824 -0.6243 -1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 2.0215 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 3.2270 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 0.5360 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 -0.7658 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 -1.9970 -2.4334 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 7 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END