HMDB0032731 RDKit 3D (1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrie... 51 52 0 0 0 0 0 0 0 0999 V2000 1.6050 0.9499 -2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 1.3784 -1.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0759 2.7368 -1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 3.7914 -1.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 2.6666 -1.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5699 1.4804 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 0.9851 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 0.5562 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 0.0621 -0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9859 0.8837 -0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 0.5109 1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 0.6947 1.8682 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 0.3100 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 -0.6824 1.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 -1.7585 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -3.0549 1.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 -1.9679 0.4292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -1.6304 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 -0.2604 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 -0.3457 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 0.2089 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 0.7940 1.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 0.1377 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -0.5544 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 0.6783 1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1855 0.6424 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 0.5601 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2499 1.6770 -2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 -0.0912 -2.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 1.8575 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.9876 -2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1468 0.2353 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2347 -0.9711 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7112 1.8261 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 1.0484 2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -0.7374 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -2.8588 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 -3.8398 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -3.3492 2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -2.5866 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.3531 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 -1.7774 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 0.2873 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 0.2138 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2756 -1.2073 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -1.1459 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 1.1739 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 -0.3375 0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 1.4143 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6242 0.8718 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -0.1108 -2.0025 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 9 10 1 0 8 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 19 27 1 0 27 2 1 0 27 6 1 0 1 28 1 0 1 29 1 0 6 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 24 44 1 0 24 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 26 49 1 0 26 50 1 0 27 51 1 0 M END