HMDB0036158 RDKit 3D 4-Deacetylneosolaniol 48 51 0 0 0 0 0 0 0 0999 V2000 -2.2627 4.3170 1.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 2.9351 1.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 2.3929 1.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 2.2545 0.9763 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 0.9225 0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 0.2774 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 1.1171 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.8576 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 2.2350 -2.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 1.0141 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 1.0905 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 0.1734 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 0.0529 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 -1.0760 1.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 -2.2229 1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 -2.6128 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9087 -3.9869 -0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 -1.8399 -1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 -2.7147 -2.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -1.0604 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7144 -0.9348 -1.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -2.0210 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0484 -3.0443 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -1.8898 1.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0759 4.4937 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3181 4.5226 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 5.0212 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 0.3976 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 1.0473 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 0.5422 -2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 1.9063 -1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 2.7812 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 3.0613 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 1.4143 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 0.0520 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2699 1.7528 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 -0.4475 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 0.9165 1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 -3.0504 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -2.4796 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 -4.4272 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 -1.2118 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.6048 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6959 -0.9262 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7382 -1.8444 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6603 0.0007 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7557 -3.1434 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9574 -4.0107 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 13 6 1 0 22 15 1 0 20 6 1 0 24 22 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 23 47 1 0 23 48 1 0 M END