HMDB0031375 RDKit 3D (1(10)E,4E,6a,9b)-9-(3-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-o... 52 53 0 0 0 0 0 0 0 0999 V2000 1.1331 -3.9907 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -2.8952 0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3509 -2.8470 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 -3.7637 0.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.6195 1.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.7121 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 -0.5256 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 0.6232 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 0.7717 -2.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.8686 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 2.0578 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5658 1.9713 1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 1.0192 1.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 1.1764 3.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 -0.2397 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 -0.0138 0.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 -0.5298 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -1.2663 1.6189 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2512 -0.2710 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 0.6242 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4054 1.9724 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -0.0187 -2.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -1.1064 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 -1.5108 1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 -4.9365 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -3.9721 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 0.2221 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.4050 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 1.1788 -2.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6133 1.5634 -2.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 -0.1732 -3.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0299 1.9062 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 2.7674 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8784 3.1108 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 1.4379 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 2.8641 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 0.2125 3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 1.9562 3.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 1.4001 3.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -0.9170 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 -1.2118 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0304 0.2365 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9089 0.8132 -1.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 2.7449 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 2.0088 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 2.2789 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 0.4044 -3.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 0.1790 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -1.1001 -2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2806 -2.0880 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -0.8555 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.4003 2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 15 23 1 0 23 24 1 0 24 2 1 0 24 6 1 0 1 25 1 0 1 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 M END