Mol:FL5FAAGL0043
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 52 57 0 0 0 0 0 0 0 0999 V2000 | + | 52 57 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7954 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7954 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7954 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7954 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0944 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0944 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3934 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3934 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3934 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3934 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0944 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0944 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3076 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3076 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0086 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0086 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3076 1.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3076 1.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3076 -0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3076 -0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7094 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7094 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4239 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4239 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1384 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1384 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1384 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1384 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4239 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4239 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7094 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7094 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0944 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0944 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4962 1.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4962 1.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8527 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8527 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8161 -0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8161 -0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4991 -1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4991 -1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6530 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6530 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9215 -1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9215 -1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6530 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6530 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4991 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4991 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2307 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2307 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2987 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2987 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8814 -2.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8814 -2.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3888 -3.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3888 -3.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6044 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6044 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5187 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5187 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8616 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8616 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6371 -0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6371 -0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7228 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7228 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3799 -0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3799 -0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3250 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3250 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1600 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1600 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7096 -2.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7096 -2.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6418 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6418 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0216 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0216 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2298 1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2298 1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4811 2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4811 2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2298 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2298 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0216 3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0216 3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7704 2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7704 2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7791 3.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7791 3.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2932 3.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2932 3.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4193 3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4193 3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7096 1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7096 1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6404 -3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6404 -3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3806 -3.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3806 -3.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
− | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
− | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
− | 35 28 1 0 0 0 0 | + | 35 28 1 0 0 0 0 |
− | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
− | 46 41 1 1 0 0 0 | + | 46 41 1 1 0 0 0 |
− | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
− | 44 48 1 0 0 0 0 | + | 44 48 1 0 0 0 0 |
− | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
− | 41 50 1 0 0 0 0 | + | 41 50 1 0 0 0 0 |
− | 42 19 1 0 0 0 0 | + | 42 19 1 0 0 0 0 |
− | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
− | 25 51 1 0 0 0 0 | + | 25 51 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 51 52 | + | M SAL 1 2 51 52 |
− | M SBL 1 1 57 | + | M SBL 1 1 57 |
− | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
− | M SBV 1 57 0.0125 0.9966 | + | M SBV 1 57 0.0125 0.9966 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0043 | + | ID FL5FAAGL0043 |
− | FORMULA C33H40O19 | + | FORMULA C33H40O19 |
− | EXACTMASS 740.216379098 | + | EXACTMASS 740.216379098 |
− | AVERAGEMASS 740.6593 | + | AVERAGEMASS 740.6593 |
− | SMILES C(O6)(C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5C)OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c31)cc(OC(C2O)OC(C)C(C2O)O)cc1O | + | SMILES C(O6)(C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5C)OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c31)cc(OC(C2O)OC(C)C(C2O)O)cc1O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -1.7954 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 1.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 -0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 1.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8527 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 -0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 -1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 -1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2307 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 -2.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3888 -3.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6044 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 -0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 -2.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 3.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7791 3.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2932 3.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4193 3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6404 -3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -3.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 28 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 41 50 1 0 0 0 0 42 19 1 0 0 0 0 51 52 1 0 0 0 0 25 51 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 ^ CH2OH M SBV 1 57 0.0125 0.9966 S SKP 5 ID FL5FAAGL0043 FORMULA C33H40O19 EXACTMASS 740.216379098 AVERAGEMASS 740.6593 SMILES C(O6)(C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5C)OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c31)cc(OC(C2O)OC(C)C(C2O)O)cc1O M END