HMDB0012220 RDKit 3D Dopaxanthin quinone 44 45 0 0 0 0 0 0 0 0999 V2000 -7.2055 1.1374 0.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 1.7785 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2087 3.1214 0.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8347 1.1455 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 1.7897 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.0581 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 1.6040 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 0.9956 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -0.1237 0.3023 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 -0.5904 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 0.3871 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 -0.0471 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8735 0.7393 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 0.3665 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 1.1008 0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6511 -0.9319 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 -1.3450 -0.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 -1.7607 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 -1.3325 -1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -0.5999 1.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 -0.9671 1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 -0.1903 2.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.2410 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 -0.6527 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 -2.1219 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6101 -2.7549 -0.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -2.7525 -1.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7192 -0.2273 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8604 3.7957 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 2.8177 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 2.5618 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 1.5495 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -1.6070 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.4161 -1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 1.3703 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 1.7141 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8488 -2.7217 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -1.9905 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 -0.5474 2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 -0.9746 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -0.1374 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 -0.1600 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 -3.7358 -2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4469 -0.9353 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 10 20 1 0 20 21 2 0 20 22 1 0 6 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 4 1 0 19 12 1 0 3 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 13 36 1 0 18 37 1 0 19 38 1 0 22 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 27 43 1 0 28 44 1 0 M END