HMDB0041228 RDKit 3D 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide 55 57 0 0 0 0 0 0 0 0999 V2000 5.2165 -0.8290 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 -0.4142 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5877 0.1300 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 0.3146 -1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 0.5274 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 1.0430 -1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 0.3770 -0.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 0.7302 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6907 1.7959 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 2.5486 1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 2.5520 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 3.3718 2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 4.2378 3.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2953 3.0529 1.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 2.1396 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 2.8639 -0.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 0.9442 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1869 0.4751 1.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 -0.1626 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3195 -1.3811 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9193 -2.6228 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 -2.7337 -1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -3.6236 -0.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 -1.4478 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 -0.9054 -2.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -0.4676 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -1.1504 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 -1.8842 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5582 -0.2336 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -0.6862 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 -0.5701 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -0.6558 -1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 0.9022 -2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5421 0.9139 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 1.1709 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 3.2639 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9829 2.8132 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 1.5422 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6521 3.5539 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 1.2647 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 1.1955 2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 0.1383 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -1.4773 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3945 -1.1233 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 -3.4832 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -2.8201 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -3.2526 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 -3.8918 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 -1.7041 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2927 0.1726 -2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 -1.3776 -3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 -1.1824 -3.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -1.4546 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 -2.0524 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -0.4479 1.9616 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 8 1 0 15 9 1 0 26 19 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 4 32 1 0 4 33 1 0 4 34 1 0 8 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 25 52 1 0 27 53 1 0 27 54 1 0 27 55 1 0 M END