HMDB0035441 RDKit 3D Oenanthoside A 44 46 0 0 0 0 0 0 0 0999 V2000 5.4484 2.9330 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 1.6178 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8608 0.8158 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 0.0706 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 -1.2061 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 -1.9148 0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -1.3413 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -0.0733 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 0.5245 -0.4228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 0.0770 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 0.0119 -1.5406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 -0.3382 -1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 -1.6265 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8451 -2.7026 -1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0241 0.8083 -0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 0.3213 -0.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 1.6775 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 2.0726 1.0204 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 0.9567 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 1.9062 1.1942 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 0.5933 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -2.3191 0.7341 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -3.5754 0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -3.2032 1.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 3.4821 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 3.4949 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5444 1.1287 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 1.4178 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 0.0367 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5948 -1.6727 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3324 -0.9439 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 -0.5205 -2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 -1.5753 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5935 -1.8272 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -2.8105 -2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 1.4633 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 0.6322 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8592 2.6072 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 3.0337 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 0.3703 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 2.2293 2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 1.5863 -0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4948 -4.3179 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1002 -3.9002 -0.3596 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 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 2 0 7 22 1 0 22 23 1 0 23 24 1 0 21 4 1 0 24 6 1 0 19 10 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 23 43 1 0 23 44 1 0 M END