HMDB0035129 RDKit 3D Citrunobin 46 48 0 0 0 0 0 0 0 0999 V2000 -5.6856 -0.0001 -3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 0.2381 -1.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -0.0117 -1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 -0.5008 -2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -0.7308 -2.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -1.2249 -4.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7546 -0.4804 -1.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 -0.7513 -1.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 -1.2150 -3.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.6784 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 -0.3348 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4355 -0.3922 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6111 0.0253 2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8571 0.0091 2.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9622 -0.4286 2.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -0.4374 2.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -0.8427 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -0.8210 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 0.0053 -0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 0.2525 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 0.7652 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 1.0127 1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4494 0.7702 1.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 2.0539 2.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -0.1929 2.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 0.2870 0.4999 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0463 -1.0672 -3.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6132 0.6451 -2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 0.2659 -3.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4516 -0.7051 -3.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 -1.4022 -4.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 -1.0241 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 0.0082 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 0.3697 2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9642 0.3385 3.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 0.4054 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 -1.1843 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4871 -1.1549 -0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6355 0.9474 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4203 1.4012 2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 2.8243 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 1.8848 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 2.3927 2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 0.3582 3.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -0.9301 2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 -0.7498 3.0469 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 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 7 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 20 3 1 0 18 12 1 0 26 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 21 39 1 0 22 40 1 0 24 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 25 45 1 0 25 46 1 0 M END