HMDB0040728 RDKit 3D Neolicuroside 69 72 0 0 0 0 0 0 0 0999 V2000 6.0297 -2.7401 2.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7366 -2.2014 1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5149 -1.5089 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 -0.8505 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -0.1727 0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -0.1821 1.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 0.4789 1.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 1.1566 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1041 1.7802 1.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 2.5162 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 3.8512 0.5923 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 4.5599 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 6.0380 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 6.2840 1.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2761 4.1138 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 5.0497 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3157 2.7281 0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 2.7615 1.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 1.8720 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 0.6103 0.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3541 -0.4187 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 -1.2458 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -2.5499 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -2.5874 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 -2.7449 1.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 -3.7099 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 -3.6417 -1.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5824 -1.2406 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3715 -1.4150 -1.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 1.1556 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 0.5069 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 -2.4383 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6427 -1.9892 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 -2.2685 -2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7400 -3.0052 -1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7371 -3.2756 -2.6574 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8472 -3.4672 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8616 -3.2052 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 -3.7050 1.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 -1.5074 2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -0.7582 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 -0.7011 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2295 0.4268 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 2.5448 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 4.4931 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 6.6729 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 6.3010 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 6.2457 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8352 4.2169 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 4.6509 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3131 2.3005 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5406 1.8780 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4338 1.9097 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 0.0712 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 -3.1394 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -3.0164 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4456 -2.0138 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -4.6703 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8433 -3.6657 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7287 -4.0526 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2283 -0.8582 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0064 -0.6416 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 1.6517 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 0.5274 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 -1.4045 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5478 -1.8921 -3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 -2.5779 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -4.0659 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -3.8247 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 24 28 1 0 28 29 1 0 8 30 1 0 30 31 2 0 2 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 2 0 38 39 1 0 31 5 1 0 38 32 1 0 19 10 1 0 28 21 1 0 3 40 1 0 4 41 1 0 6 42 1 0 7 43 1 0 10 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 25 57 1 0 26 58 1 0 26 59 1 0 27 60 1 0 28 61 1 0 29 62 1 0 30 63 1 0 31 64 1 0 33 65 1 0 34 66 1 0 36 67 1 0 37 68 1 0 39 69 1 0 M END