HMDB0302307 RDKit 3D Arctinone A acetate 32 33 0 0 0 0 0 0 0 0999 V2000 8.4772 -0.4312 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 -0.1943 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 0.0060 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4031 0.2225 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 1.3959 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 1.3486 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 0.1378 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 -0.2130 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 0.6125 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 0.0665 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -1.2688 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -2.1874 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -3.4273 0.5963 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5096 -1.7842 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 -0.4255 0.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 0.2331 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9001 1.6968 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9191 -0.4300 0.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -1.7373 0.1795 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -0.9129 -0.1514 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7117 -1.5160 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9977 -0.0469 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8503 0.0529 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 2.3290 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 2.2550 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.6985 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8369 0.6865 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 -1.9949 1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1253 -2.4084 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 1.8833 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7514 2.1962 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9579 2.1570 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 3 0 3 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 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 11 19 1 0 7 20 1 0 20 4 1 0 19 8 1 0 1 21 1 0 1 22 1 0 1 23 1 0 5 24 1 0 6 25 1 0 9 26 1 0 10 27 1 0 14 28 1 0 14 29 1 0 17 30 1 0 17 31 1 0 17 32 1 0 M END