HMDB0255526 RDKit 3D Neomangiferin 69 73 0 0 0 0 0 0 0 0999 V2000 1.0342 -0.5667 1.2376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 0.3410 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 0.6400 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -0.0481 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9324 0.2812 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 -0.4489 1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2553 -0.4804 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 -1.8167 0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 -1.6460 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6311 -2.9178 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8020 -2.7912 -0.9394 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7001 -0.4747 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5352 0.5636 -0.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5774 0.0988 1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 1.4546 1.5053 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 0.0723 2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0019 -0.6905 3.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 1.2856 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4963 1.6545 -0.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 1.9777 -1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 1.6464 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0893 2.2965 -1.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 2.0314 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 2.6850 -1.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 2.3129 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 3.0449 -2.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.3448 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 0.8195 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 -0.5615 -1.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -1.1472 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 -2.6491 -1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6572 -3.2286 -0.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4432 -1.0107 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 -0.4382 -0.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 -0.2106 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4591 -1.0296 2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9704 0.8580 0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8225 2.0807 0.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 0.6912 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 -0.2926 0.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 1.0388 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.8184 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4603 0.0650 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4991 -1.4834 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9472 -3.3255 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9969 -3.7081 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6201 -2.6062 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7827 -0.8145 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 1.3431 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1755 -0.3790 2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6637 1.8524 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8357 1.1105 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0574 -0.8088 3.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 2.3647 -1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 2.7457 -1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 3.4552 -2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 2.9127 -2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0882 1.2893 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 -0.7369 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8335 -2.7450 -2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3455 -3.0892 -1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -3.5858 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7118 -2.0307 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0575 0.1329 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8271 0.2869 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -0.5372 2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2405 1.1281 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 1.9506 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 -0.7388 1.1768 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 39 41 2 0 41 2 1 0 21 3 1 0 41 23 1 0 16 7 1 0 37 28 1 0 4 42 1 0 7 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 19 54 1 0 20 55 1 0 24 56 1 0 26 57 1 0 28 58 1 0 30 59 1 0 31 60 1 0 31 61 1 0 32 62 1 0 33 63 1 0 34 64 1 0 35 65 1 0 36 66 1 0 37 67 1 0 38 68 1 0 40 69 1 0 M END