HMDB0033516 RDKit 3D Citreovirone 32 32 0 0 0 0 0 0 0 0999 V2000 5.0816 -1.6679 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -1.7220 -0.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.5690 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 0.5886 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 1.7161 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 2.8274 1.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 1.6999 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 0.5566 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 0.4570 -1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 -0.0088 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 -0.2667 0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 -0.1751 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 -0.6685 0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 0.2188 1.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1656 -0.7261 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7351 0.8825 -0.2798 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1615 -1.4026 1.5253 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -0.5551 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -1.2952 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5483 -2.6913 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6927 -0.9913 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 0.5889 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 3.7005 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 2.5596 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7114 1.4800 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.2211 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2613 0.8248 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -0.8462 -1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -1.7047 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4906 0.2495 2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1912 -1.3706 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 -1.4679 -1.0934 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 5 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 8 18 2 0 18 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 18 32 1 0 M END