HMDB0302157 RDKit 3D Tetramethylisoscutellarein 43 45 0 0 0 0 0 0 0 0999 V2000 5.3396 5.1253 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 5.1590 0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 3.9766 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0017 3.9135 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 2.7349 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 1.5541 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 0.3228 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5192 -0.8747 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -2.0387 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -3.1431 0.9629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5239 -1.9414 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -3.0960 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8656 -4.2117 0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 -5.4102 0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 -2.8990 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 -1.6818 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 -1.4435 -1.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2349 -2.5091 -1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 -0.6004 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 0.6472 -1.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 1.4707 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -0.7095 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 0.3642 -0.3016 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 1.6084 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 2.7876 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 4.3567 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 4.8050 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 6.0915 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 4.8564 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 2.7966 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 -0.9772 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3899 -6.1291 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 -5.9071 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 -5.5276 1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2488 -3.7565 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1956 -3.2424 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0942 -3.0682 -2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2910 -2.1455 -1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5469 2.2358 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 2.0595 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 0.9011 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 0.7354 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 2.8101 1.1023 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 23 1 0 6 24 1 0 24 25 2 0 25 3 1 0 23 7 1 0 22 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 21 39 1 0 21 40 1 0 21 41 1 0 24 42 1 0 25 43 1 0 M END