HMDB0037343 RDKit 3D 2'',3''-Diacetylcosmosiin 61 64 0 0 0 0 0 0 0 0999 V2000 -6.4062 -2.1465 -1.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -1.3238 -1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6301 -0.7867 -2.8192 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6076 -1.1200 -0.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 -0.3315 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 -1.2468 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -0.6109 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -0.9866 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -2.0430 -0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 -2.3936 -1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -3.4647 -2.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 -1.6439 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 -1.9929 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -2.9671 -2.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.2201 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 -0.1570 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8211 0.6817 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 1.7476 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6031 2.5504 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8889 2.3127 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9037 3.1617 1.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 1.2778 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 0.4675 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 0.1189 0.0638 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -0.5723 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -0.2626 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 -1.7238 1.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9968 -0.7267 2.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -1.3065 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9067 -2.4016 3.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 0.5017 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0415 0.4506 2.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 0.8075 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8414 1.8760 0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 3.0752 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 4.2140 -0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 3.1731 -0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5342 -2.7924 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3225 -1.5115 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3406 -2.8393 -2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 0.0569 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 -2.0875 -0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 -2.6667 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -4.0085 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -1.4983 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 1.9118 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4187 3.3923 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0841 3.9849 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1822 1.0718 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3448 -0.3489 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 0.5949 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.5338 2.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 -1.6263 3.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7742 -0.5426 4.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 -2.6964 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 1.3701 2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1687 1.0559 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7945 1.1508 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 3.9800 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7778 5.0779 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 4.5167 -1.7685 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 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 6 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 2 0 33 5 1 0 26 8 1 0 25 12 1 0 23 17 1 0 1 38 1 0 1 39 1 0 1 40 1 0 5 41 1 0 6 42 1 0 9 43 1 0 11 44 1 0 15 45 1 0 18 46 1 0 19 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 26 51 1 0 28 52 1 0 29 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 32 57 1 0 33 58 1 0 36 59 1 0 36 60 1 0 36 61 1 0 M END