HMDB0041245 RDKit 3D 7-Hydroxyheptaphylline 39 41 0 0 0 0 0 0 0 0999 V2000 3.4637 -0.4423 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 -0.1719 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 -0.9197 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 0.6738 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 1.4332 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 1.2496 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 1.8652 -1.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 2.6843 -2.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 1.6839 -2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 2.3354 -3.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 2.1609 -3.7581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 0.8913 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 0.2692 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 0.4556 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 -0.2475 1.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 -0.8933 1.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -1.7251 2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1329 -2.2102 2.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -3.0404 3.7084 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 -1.8940 1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7307 -1.0692 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4518 -0.5664 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 0.4562 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -0.9216 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 -1.1759 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 -0.7556 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 -2.0111 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -0.6678 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 0.8182 -1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 2.5291 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 1.3209 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6162 2.8395 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 2.9554 -3.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 0.7673 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4793 -0.2949 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 -1.9746 3.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -3.3275 4.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -2.2810 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 -0.7990 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 9 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 14 6 1 0 22 16 1 0 22 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 8 32 1 0 10 33 1 0 12 34 1 0 15 35 1 0 17 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 M END