KEGG:C08984 Spinasaponin A ISISHOST03240423212D 1 1.00000 0.00000 8024 59 65 0 0 0 999 V2000 13.1917 -16.5166 0.0000 C 0 0 2 0 0 0 0 0 0 12.4793 -16.9423 0.0000 O 0 0 0 0 0 0 0 0 0 13.9146 -16.9199 0.0000 C 0 0 1 0 0 0 0 0 0 12.4929 -17.7697 0.0000 C 0 0 1 0 0 0 0 0 0 13.9300 -17.7502 0.0000 C 0 0 2 0 0 0 0 0 0 14.6271 -16.4942 0.0000 O 0 0 0 0 0 0 0 0 0 13.2177 -18.1760 0.0000 C 0 0 2 0 0 0 0 0 0 11.7805 -18.1954 0.0000 C 0 0 0 0 0 0 0 0 0 14.6514 -18.1508 0.0000 O 0 0 0 0 0 0 0 0 0 13.2262 -18.9946 0.0000 O 0 0 0 0 0 0 0 0 0 13.8694 -13.6035 0.0000 C 0 0 1 0 0 0 0 0 0 13.8879 -14.4312 0.0000 C 0 0 1 0 0 0 0 0 0 13.1414 -13.2049 0.0000 O 0 0 0 0 0 0 0 0 0 13.1815 -14.8620 0.0000 C 0 0 1 0 0 0 0 0 0 14.6112 -14.8311 0.0000 O 0 0 0 0 0 0 0 0 0 12.4320 -13.6342 0.0000 C 0 0 1 0 0 0 0 0 0 13.1984 -15.6927 0.0000 O 0 0 0 0 0 0 0 0 0 12.4519 -14.4664 0.0000 C 0 0 1 0 0 0 0 0 0 11.7024 -13.2386 0.0000 C 0 0 0 0 0 0 0 0 0 11.7425 -14.8956 0.0000 O 0 0 0 0 0 0 0 0 0 11.6789 -12.4042 0.0000 O 0 0 0 0 0 0 0 0 0 10.9976 -13.6664 0.0000 O 0 0 0 0 0 0 0 0 0 18.1814 -11.9600 0.0000 C 0 0 1 0 0 0 0 0 0 18.8891 -11.5468 0.0000 C 0 0 1 0 0 0 0 0 0 17.4660 -11.5399 0.0000 C 0 0 1 0 0 0 0 0 0 18.1814 -12.7864 0.0000 C 0 0 0 0 0 0 0 0 0 18.1668 -11.1267 0.0000 C 0 0 0 0 0 0 0 0 0 18.8960 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 19.5975 -11.9704 0.0000 C 0 0 0 0 0 0 0 0 0 18.8788 -12.3733 0.0000 C 0 0 0 0 0 0 0 0 0 16.7436 -11.9531 0.0000 C 0 0 2 0 0 0 0 0 0 17.4728 -10.7135 0.0000 C 0 0 0 0 0 0 0 0 0 17.4625 -13.1962 0.0000 C 0 0 0 0 0 0 0 0 0 19.6182 -10.3209 0.0000 C 0 0 1 0 0 0 0 0 0 18.1952 -10.3071 0.0000 C 0 0 0 0 0 0 0 0 0 20.3164 -11.5640 0.0000 C 0 0 0 0 0 0 0 0 0 16.7402 -12.7830 0.0000 C 0 0 1 0 0 0 0 0 0 16.0283 -11.5364 0.0000 C 0 0 0 0 0 0 0 0 0 16.7327 -11.1233 0.0000 C 0 0 0 0 0 0 0 0 0 20.3267 -10.7411 0.0000 C 0 0 1 0 0 0 0 0 0 19.6362 -9.4980 0.0000 C 0 0 0 0 0 0 0 0 0 16.0283 -13.1962 0.0000 C 0 0 3 0 0 0 0 0 0 15.3060 -11.9531 0.0000 C 0 0 0 0 0 0 0 0 0 21.0456 -10.3416 0.0000 C 0 0 0 0 0 0 0 0 0 20.9103 -11.3281 0.0000 C 0 0 0 0 0 0 0 0 0 20.3551 -9.0916 0.0000 C 0 0 3 0 0 0 0 0 0 15.3060 -12.7830 0.0000 C 0 0 2 0 0 0 0 0 0 16.4346 -13.9151 0.0000 C 0 0 0 0 0 0 0 0 0 15.4378 -13.7791 0.0000 C 0 0 0 0 0 0 0 0 0 21.0559 -9.5152 0.0000 C 0 0 0 0 0 0 0 0 0 21.6327 -10.9039 0.0000 O 0 0 0 0 0 0 0 0 0 20.9103 -12.1580 0.0000 O 0 0 0 0 0 0 0 0 0 20.5668 -8.2859 0.0000 C 0 0 0 0 0 0 0 0 0 19.9384 -8.3694 0.0000 C 0 0 0 0 0 0 0 0 0 14.5906 -13.1962 0.0000 O 0 0 0 0 0 0 0 0 0 17.4625 -12.3629 0.0000 H 0 0 0 0 0 0 0 0 0 19.6113 -11.1440 0.0000 H 0 0 0 0 0 0 0 0 0 16.8160 -13.4012 0.0000 H 0 0 0 0 0 0 0 0 0 11.0599 -17.7937 0.0000 O 0 0 0 0 0 0 0 0 0 12 15 1 6 0 0 13 16 1 0 0 0 14 17 1 1 0 0 14 18 1 0 0 0 16 19 1 1 0 0 18 20 1 6 0 0 19 21 1 0 0 0 19 22 2 0 0 0 16 18 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 6 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 7 10 1 6 0 0 5 7 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 23 27 1 1 0 0 24 28 1 0 0 0 24 29 1 0 0 0 24 30 1 6 0 0 25 31 1 0 0 0 25 32 1 0 0 0 26 33 1 0 0 0 28 34 1 0 0 0 28 35 2 0 0 0 29 36 1 0 0 0 31 37 1 0 0 0 31 38 1 0 0 0 31 39 1 1 0 0 34 40 1 0 0 0 34 41 1 0 0 0 37 42 1 0 0 0 38 43 1 0 0 0 40 44 1 0 0 0 40 45 1 1 0 0 41 46 1 0 0 0 42 47 1 0 0 0 42 48 1 0 0 0 42 49 1 0 0 0 44 50 1 0 0 0 45 51 1 0 0 0 45 52 2 0 0 0 46 53 1 0 0 0 46 54 1 0 0 0 47 55 1 1 0 0 32 35 1 0 0 0 33 37 1 0 0 0 36 40 1 0 0 0 43 47 1 0 0 0 46 50 1 0 0 0 25 56 1 6 0 0 34 57 1 1 0 0 37 58 1 6 0 0 11 55 1 1 0 0 1 17 1 1 0 0 12 14 1 0 0 0 8 59 1 0 0 0 M END