HMDB0242294 RDKit 3D (16-Benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatr... 74 77 0 0 0 0 0 0 0 0999 V2000 2.0340 3.3843 1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 2.4986 0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 1.0664 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 0.8027 1.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 0.3307 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 0.8079 -1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -0.1211 -1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 -0.4947 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 -1.6198 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1158 -1.9457 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 -1.1278 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2435 0.0007 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 0.3175 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 0.9839 -2.2525 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 0.4873 -1.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 0.1704 -2.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 0.3784 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 -0.9487 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -1.8528 -0.5484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0592 -2.6953 -1.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -3.6048 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 -2.7741 -2.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -1.5151 1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2584 -1.7708 1.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 -1.4200 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4703 -2.5006 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -0.1410 1.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7561 -1.0483 1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -1.5452 1.8559 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1503 0.1617 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3556 1.3500 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 0.4537 -0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 1.6981 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 2.1214 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9536 1.6448 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0607 2.8186 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 3.3567 -1.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 4.4377 1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 3.0929 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 0.7671 1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.2890 2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 1.2746 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5555 1.1995 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -0.7325 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 1.7802 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 -1.0305 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 0.4041 -2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 -2.3045 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 -2.8306 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -1.3867 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 0.6384 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 1.2032 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 1.4262 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -1.1454 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 -4.5702 -2.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 -3.1740 -2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -3.8597 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -1.7770 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 -2.1897 2.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0467 -3.3054 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1512 -2.5319 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -3.1667 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 0.2516 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1349 -0.1485 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5287 0.9554 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 2.0480 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2518 1.8996 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 -0.3564 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.4893 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0527 2.5230 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 3.2362 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 1.5294 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5239 3.6209 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 4.3130 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 36 2 1 0 17 5 1 0 13 8 1 0 35 17 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 18 54 1 0 21 55 1 0 21 56 1 0 21 57 1 0 23 58 1 0 24 59 1 0 26 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 30 64 1 0 31 65 1 0 31 66 1 0 31 67 1 0 32 68 1 0 32 69 1 0 33 70 1 0 34 71 1 0 35 72 1 0 36 73 1 0 37 74 1 0 M END