HMDB0302303 RDKit 3D Arctinol 29 30 0 0 0 0 0 0 0 0999 V2000 7.5337 -0.6283 1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1429 -0.4642 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -0.3469 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 -0.2129 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 0.0527 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 0.1319 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 -0.0593 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 -0.0205 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 0.2097 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 0.1922 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 -0.0523 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 -0.1352 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 0.6300 2.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 0.3431 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 -0.4209 -0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -0.2546 1.3333 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.3430 1.0753 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1678 -0.1112 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8299 -1.7001 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6836 -0.1944 2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8485 0.1888 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 0.3444 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 0.3999 -2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 0.3715 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 -1.1815 1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 1.5458 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3556 0.2345 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2859 1.4336 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9106 0.0470 -1.5296 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 1 0 12 14 1 0 14 15 1 0 11 16 1 0 7 17 1 0 17 4 1 0 16 8 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 6 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 14 28 1 0 15 29 1 0 M END