HMDB0038113 RDKit 3D 5-Deoxykievitone hydrate 48 50 0 0 0 0 0 0 0 0999 V2000 -3.3680 -0.1620 1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 -1.0912 0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2168 -2.4567 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 -1.3791 0.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 -0.5292 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 -0.0475 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9365 1.0404 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 2.3693 -1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 2.7680 -1.6788 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 3.3970 -0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 3.1059 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 1.7766 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 0.7781 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3043 -0.5553 -0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -0.8596 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 -0.0167 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -0.2921 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 -0.0070 1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 -0.2046 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1102 -0.6928 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4882 -0.8959 0.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -0.9901 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1109 -0.7935 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -1.0817 -2.1354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 1.3778 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 2.1336 0.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -0.4308 2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 0.8560 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 -0.2610 1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 -3.2236 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 -2.4615 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 -2.7619 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8384 -0.9471 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3233 -1.4037 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8331 0.1553 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -0.9709 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 0.1215 -2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1278 2.0172 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 4.4359 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 3.8325 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 -1.9275 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 -0.5817 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -0.0209 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 0.3989 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 0.0560 2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9883 -0.6962 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0011 -1.3907 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -1.4877 -2.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 16 25 1 0 25 26 2 0 13 7 1 0 23 17 1 0 25 12 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 M END