HMDB0033006 RDKit 3D Neobignonoside 65 69 0 0 0 0 0 0 0 0999 V2000 -5.2674 0.3927 -2.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6292 0.6262 -1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6839 0.6973 -0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 0.5311 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 -0.8050 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 -0.8916 -0.9643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -1.1772 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4764 -1.0854 -0.0429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 -0.2572 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 0.6748 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 1.5130 2.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 2.4069 2.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 1.3460 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 2.1140 2.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 2.9693 2.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 1.8952 1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 0.9598 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 0.7534 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4146 1.4596 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6652 1.2188 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8183 0.2416 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 0.0123 -1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 -0.4805 -1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8786 -1.4461 -2.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 -0.2187 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 0.2436 0.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 0.4093 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -0.3725 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 -2.5594 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6341 -2.5156 2.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -3.0559 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -4.2664 0.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 -1.9512 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 -2.4047 -0.5283 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0663 0.8070 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4488 1.0619 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7613 1.2461 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7173 1.1737 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0550 1.3597 0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3272 0.9148 -1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9965 0.7328 -1.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 0.6914 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 1.3018 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 -0.9064 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 -0.4442 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 0.8044 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 3.0777 3.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 2.5227 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3398 2.2235 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5334 1.7693 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 0.5597 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7714 -1.6290 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6469 -0.7954 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 -1.1047 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3743 -3.2349 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.5972 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -3.1689 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5879 -5.0447 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6009 -1.6594 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 -3.1562 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7211 1.1257 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0769 1.4522 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3041 1.5459 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0916 0.8625 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6785 0.5309 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 17 26 1 0 26 27 1 0 27 28 2 0 7 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 2 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 38 40 1 0 40 41 2 0 33 5 1 0 41 35 1 0 28 9 1 0 27 13 1 0 25 18 1 0 4 42 1 0 4 43 1 0 5 44 1 0 7 45 1 0 10 46 1 0 12 47 1 0 16 48 1 0 19 49 1 0 20 50 1 0 22 51 1 0 24 52 1 0 25 53 1 0 28 54 1 0 29 55 1 0 30 56 1 0 31 57 1 0 32 58 1 0 33 59 1 0 34 60 1 0 36 61 1 0 37 62 1 0 39 63 1 0 40 64 1 0 41 65 1 0 M END