HMDB0039616 RDKit 3D Orientalone 31 32 0 0 0 0 0 0 0 0999 V2000 5.0613 0.9992 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4618 -0.1824 0.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 -0.5088 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -1.5416 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 -1.9035 -1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 -2.8884 -1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 -1.1283 -0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 -1.4573 -1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9192 -0.6824 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 -1.1262 -0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 0.3873 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 1.2223 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2445 1.1345 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 2.2190 1.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 0.7251 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 1.7969 1.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 -0.0402 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 0.2737 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 1.2574 1.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 1.0739 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 1.9024 0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0919 1.0530 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 -2.1215 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0175 -2.3125 -1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -0.5598 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -2.2158 -1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9998 -1.2058 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5176 1.0293 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 2.1520 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6865 0.3821 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 2.2662 1.7719 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 11 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 3 1 0 17 7 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 13 29 1 0 13 30 1 0 16 31 1 0 M END