HMDB0038600 RDKit 3D Torachrysone 8-glucoside 53 55 0 0 0 0 0 0 0 0999 V2000 -1.0152 5.4120 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 4.2998 0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 3.0325 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 1.9346 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2448 0.6391 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 -0.4605 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -0.4643 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 -1.0365 -0.9749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9212 -0.7437 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 -1.9566 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -1.6820 -1.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -0.2330 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 -0.5053 0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 -0.8611 1.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 -1.9448 2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -1.2043 1.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 -0.7111 2.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 0.4359 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 -0.8604 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -1.8251 -0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -1.0653 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -2.4370 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 -2.9489 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 -3.3427 -0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 0.0301 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8013 -0.0888 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 1.3217 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 1.4898 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0189 2.7974 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 6.2910 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 5.5442 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 5.1882 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 2.1320 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 0.5419 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 0.0564 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -2.8487 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -2.1041 -2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1862 -0.8116 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 0.8887 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2874 -0.0134 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 -0.0858 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -1.5597 2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -2.2916 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -1.4033 2.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -2.7561 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6473 -2.8616 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 -4.0944 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0107 -2.5171 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 -0.7221 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 0.9623 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2517 -0.3638 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 2.1683 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 3.6389 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 21 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 2 0 29 3 1 0 16 7 1 0 28 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 7 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 20 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 26 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 29 53 1 0 M END