HMDB0036457 RDKit 3D Emodinanthranol 31 33 0 0 0 0 0 0 0 0999 V2000 -4.6650 0.8277 -0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 0.3517 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -0.6517 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 -1.0951 1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9968 -2.0816 1.9814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9028 -0.5516 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 0.4344 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 0.8847 -0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 1.0643 -0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5344 0.5488 -0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 1.0826 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.6659 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 1.2041 -0.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0517 -0.3144 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -0.8538 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 -1.8563 1.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -0.4343 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.0037 1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4499 -1.9046 1.9111 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 0.1145 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 1.8516 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6121 0.8151 -2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2315 -1.0717 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7943 -2.5411 2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 1.6619 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 2.1744 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 0.8821 -2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 1.8596 -1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 0.7960 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 -0.6813 0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -2.1782 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 8 2 1 0 17 10 1 0 18 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 5 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 16 31 1 0 M END