HMDB0035433 RDKit 3D Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside] 100106 0 0 0 0 0 0 0 0999 V2000 -4.1492 -0.8442 2.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 -2.0234 1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -2.2351 0.5943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 -1.1473 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -1.2181 -0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -0.1808 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 0.5098 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 0.1798 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 0.9293 -2.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5496 1.3285 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 0.2909 -1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -0.5219 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 0.0627 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 0.1089 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2805 0.3634 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0573 -0.8480 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3242 1.4581 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 1.0223 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6797 0.7986 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4073 0.3828 2.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6218 0.0766 2.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5134 0.3643 3.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 0.7608 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8212 1.6644 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 1.4066 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 1.0536 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0676 2.2711 -0.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -0.9166 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4519 -1.9635 -1.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 -1.6349 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 -0.7534 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 -1.0926 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4808 0.2222 -1.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 -1.9216 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 -3.2681 -1.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1883 -1.7047 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 -0.4046 0.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0007 -0.2733 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2595 0.2714 1.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2787 1.1867 1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7617 1.2609 3.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8002 2.1564 3.1827 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4749 0.8140 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3440 1.9112 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1446 0.4821 -0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5305 -0.8125 -1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6181 0.5179 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3357 -0.0782 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 -0.7693 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 0.1081 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8505 -0.9655 2.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4988 -2.9519 1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6543 -0.2427 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 0.5010 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 1.3329 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 1.8773 -2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 0.4076 -3.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 2.2379 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0479 1.6186 -3.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -0.3765 -2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -1.5060 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -0.6286 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4079 1.0453 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 0.9057 2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 -0.8539 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 -1.7294 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 -1.0886 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 -0.7326 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 2.3512 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1307 0.9056 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9416 1.6771 3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5504 -0.0691 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5799 0.9137 -1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1835 2.6979 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 2.3940 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 0.6565 -2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 3.0505 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0071 -1.5626 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -2.2653 -2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 -2.8320 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -2.4544 -0.1072 H 0 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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 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 17 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 12 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 4 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 40 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 36 2 1 0 47 38 1 0 31 6 1 0 28 8 1 0 26 11 1 0 26 15 1 0 23 18 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 4 53 1 0 6 54 1 0 7 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 16 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 19 70 1 0 23 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 25 75 1 0 25 76 1 0 27 77 1 0 29 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 33 86 1 0 34 87 1 0 35 88 1 0 36 89 1 0 38 90 1 0 40 91 1 0 41 92 1 0 41 93 1 0 42 94 1 0 43 95 1 0 44 96 1 0 45 97 1 0 46 98 1 0 47 99 1 0 48100 1 0 M END