HMDB0032498 RDKit 3D Pseudoionone 34 33 0 0 0 0 0 0 0 0999 V2000 -5.5441 -0.0770 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2195 -1.3390 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1239 -2.1896 0.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -1.6426 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 -0.7306 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 -0.9585 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -0.0646 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 1.1879 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 -0.3041 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7454 -0.2861 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 -0.5326 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0278 0.3828 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 0.1643 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 1.6384 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 0.8068 0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 -0.0215 1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6334 0.0532 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -2.5301 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 0.2022 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 -1.9009 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 1.8220 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 0.9621 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 1.8300 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 0.4400 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 -1.3040 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 0.7033 0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 -1.0858 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -1.4484 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1096 0.6285 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4648 0.6068 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5164 -0.9347 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 2.2642 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 1.4245 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6904 2.2330 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END