HMDB0030603 RDKit 3D alpha-Viniferin 81 90 0 0 0 0 0 0 0 0999 V2000 -6.1962 4.3351 0.5224 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0953 3.6732 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 4.2767 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 3.6343 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 2.3304 -1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 1.6470 -1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 2.5850 -2.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 2.1932 -2.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 2.3487 -3.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3189 1.8510 -3.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 1.9714 -4.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 1.1977 -2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 1.0631 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 1.5500 -1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 1.5903 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6108 0.6579 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 1.2208 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 0.5258 2.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 1.1556 3.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 -0.8407 2.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -1.4237 1.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 -0.6768 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 -1.6559 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -1.9758 -1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 -3.2626 -1.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -3.6943 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -4.9972 -2.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -2.8591 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 -1.5520 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -1.1745 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 0.2757 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 0.4937 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1329 0.5646 1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 0.4885 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 0.5457 2.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 0.6842 3.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6704 0.7468 5.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 0.7613 3.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 0.7017 2.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 -0.5018 -0.8986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -2.8796 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -2.8215 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 -2.1258 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5275 -2.1785 -0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1589 -2.9065 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 -2.9078 0.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -3.5992 0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9761 -3.5753 0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 -2.7724 1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1167 1.6878 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1772 2.3620 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2658 4.2428 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7665 5.3013 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 4.1844 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 0.7114 -2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 2.8593 -4.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 2.7683 -5.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 0.8057 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 2.6743 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 2.3078 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 1.2721 4.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 -1.4172 3.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -1.4457 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 -3.9883 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -5.7004 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -3.1167 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 0.4663 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 1.4529 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 0.3791 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0807 0.4840 2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 1.6302 5.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 0.8706 4.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 0.7740 2.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 -3.8199 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -1.5416 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0975 -1.5977 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0336 -3.4414 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -4.1833 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -4.1406 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2213 0.6388 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1368 1.8315 -0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 2 0 32 40 1 0 23 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 2 0 41 49 1 0 5 50 1 0 50 51 2 0 51 2 1 0 15 6 1 0 22 16 1 0 30 24 1 0 39 33 1 0 48 42 1 0 14 8 1 0 49 21 1 0 31 13 1 0 40 29 1 0 1 52 1 0 3 53 1 0 4 54 1 0 6 55 1 0 9 56 1 0 11 57 1 0 12 58 1 0 15 59 1 0 17 60 1 0 19 61 1 0 20 62 1 0 23 63 1 0 25 64 1 0 27 65 1 0 28 66 1 0 31 67 1 0 32 68 1 0 34 69 1 0 35 70 1 0 37 71 1 0 38 72 1 0 39 73 1 0 41 74 1 0 43 75 1 0 44 76 1 0 46 77 1 0 47 78 1 0 48 79 1 0 50 80 1 0 51 81 1 0 M END