HMDB0030244 RDKit 3D Graveolinine 34 37 0 0 0 0 0 0 0 0999 V2000 -2.8394 -3.2706 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 -1.9050 0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2153 -0.8852 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 -1.1010 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 -0.0519 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -0.2662 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0449 -1.4884 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4309 -1.6067 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 -0.5183 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 0.7298 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 0.8519 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 1.6436 -0.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 0.9965 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6462 -0.3385 -0.5494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 1.1927 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 1.4523 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 2.7470 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6429 3.0364 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 1.9677 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0551 0.6734 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 0.4145 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 -3.5769 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -3.6453 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 -3.8197 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.1369 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 -2.3803 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 -2.5925 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 1.8208 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 1.4204 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 1.0212 1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 3.5492 0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 4.0595 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5767 2.1614 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7266 -0.1550 0.3485 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 5 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 3 1 0 11 6 1 0 21 16 1 0 14 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 7 26 1 0 8 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 M END