HMDB0030882 RDKit 3D (S)-Rutaretin 33 35 0 0 0 0 0 0 0 0999 V2000 -3.8133 1.2716 0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 0.2372 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 -1.1182 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 0.3403 -1.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7163 0.5519 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 -0.4052 -1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 -0.2914 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -0.5919 -1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -0.3916 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -0.7157 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1814 -0.4844 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9993 0.0488 0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0118 0.2537 1.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 0.3352 1.3973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 0.1464 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 0.4636 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 0.9963 2.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 0.2414 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 0.4668 0.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2089 2.1454 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 0.8311 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 1.6844 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 -1.1441 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 -1.3005 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 -1.9396 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7329 0.1717 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 1.5623 -0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9765 -0.1790 -2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 -1.4515 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 -1.0086 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 -1.1326 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1418 -0.7320 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 1.1384 3.0243 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 5 1 0 18 7 1 0 15 9 2 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 17 33 1 0 M END