HMDB0034733 RDKit 3D Vaccinoside 66 69 0 0 0 0 0 0 0 0999 V2000 3.3314 0.7667 -2.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 0.1800 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 0.1286 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -0.4659 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5754 -0.5121 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 -1.1728 2.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 -1.2589 2.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1353 -0.6987 2.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4025 -0.8063 2.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9279 -0.0536 0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6642 0.0413 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -0.3822 -0.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -0.4286 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4105 0.8512 -0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 1.3667 0.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 1.9282 -1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 1.9357 -2.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 0.8742 -2.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 1.0720 -3.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 2.1094 -4.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 2.1427 -4.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 3.0529 -4.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8165 0.1569 -3.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 -0.8013 -2.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -0.3710 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 -0.0782 -0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -0.8800 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1705 -1.6407 0.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2704 -0.7922 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4801 -1.6855 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6354 -0.9320 0.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5187 0.0623 1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7406 -0.1970 2.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -0.2486 2.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 -1.5918 3.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 0.0116 2.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 1.3727 1.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9812 0.7993 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 0.5982 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -0.9283 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 -1.6276 2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1774 -1.7884 3.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7284 -0.0798 3.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8067 0.3833 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5523 0.5640 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -0.9646 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 -1.1514 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 0.6563 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 2.6740 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 2.6466 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2106 -0.1134 -3.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 3.1037 -5.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 0.2125 -3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 -1.1791 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 -1.6087 0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1767 -0.1799 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3453 -2.3599 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6588 -2.3447 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 -1.0570 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4514 1.1491 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7369 0.1580 3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 0.4123 3.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3556 -1.7343 4.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -0.1606 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 1.4864 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 1.7791 -1.0690 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 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 25 38 1 0 11 5 1 0 38 14 1 0 38 18 1 0 36 27 1 0 3 39 1 0 4 40 1 0 6 41 1 0 7 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 13 46 1 0 13 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 22 52 1 0 23 53 1 0 25 54 1 0 27 55 1 0 29 56 1 0 30 57 1 0 30 58 1 0 31 59 1 0 32 60 1 0 33 61 1 0 34 62 1 0 35 63 1 0 36 64 1 0 37 65 1 0 38 66 1 0 M END