Mol:FL5FAGGS0026
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
− | 3.4518 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4518 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7374 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7374 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7373 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7373 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4518 3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4518 3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1662 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1662 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1662 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1662 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0229 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0229 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3084 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5939 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5939 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3084 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0229 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0229 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1204 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1204 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8349 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8349 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8349 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8349 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1204 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1204 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3084 0.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5494 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5494 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7373 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7373 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1204 0.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1204 0.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8807 3.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8807 3.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4518 4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4518 4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8441 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8441 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1720 2.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1720 2.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7593 2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7593 2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9611 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9611 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1676 2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1676 2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5802 2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5802 2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3786 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3786 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6578 3.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6578 3.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3233 3.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3233 3.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8807 2.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8807 2.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5573 2.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5573 2.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3681 1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3681 1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7015 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7015 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5700 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5700 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2310 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2310 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0516 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0516 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1832 0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1832 0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5221 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5221 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3521 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3521 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9679 -1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9679 -1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0071 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0071 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0861 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0861 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3374 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3374 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1353 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1353 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1427 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1427 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5697 -2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5697 -2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7718 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7718 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7642 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7642 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3241 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3241 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0134 -3.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0134 -3.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2864 -4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2864 -4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7690 -4.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7690 -4.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9229 -2.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9229 -2.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
− | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
− | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
− | 35 44 1 0 0 0 0 | + | 35 44 1 0 0 0 0 |
− | 39 19 1 0 0 0 0 | + | 39 19 1 0 0 0 0 |
− | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
− | 46 47 1 1 0 0 0 | + | 46 47 1 1 0 0 0 |
− | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
− | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
− | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
− | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
− | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
− | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
− | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
− | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
− | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
− | 48 41 1 0 0 0 0 | + | 48 41 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAGGS0026 | + | ID FL5FAGGS0026 |
− | FORMULA C33H40O22 | + | FORMULA C33H40O22 |
− | EXACTMASS 788.201122964 | + | EXACTMASS 788.201122964 |
− | AVERAGEMASS 788.6575 | + | AVERAGEMASS 788.6575 |
− | SMILES C(O)(C1OC(C6O)OC(C(C6O)O)CO)C(O)C(OC(OC(C(=O)2)=C(c(c5)cc(O)c(O)c5O)Oc(c3)c(c(O)cc(OC(O4)C(O)C(C(O)C4CO)O)3)2)1)C | + | SMILES C(O)(C1OC(C6O)OC(C(C6O)O)CO)C(O)C(OC(OC(C(=O)2)=C(c(c5)cc(O)c(O)c5O)Oc(c3)c(c(O)cc(OC(O4)C(O)C(C(O)C4CO)O)3)2)1)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 3.4518 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 3.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 0.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 0.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 3.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 2.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7593 2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9611 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 2.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6578 3.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3233 3.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 2.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5573 2.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0861 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1427 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 -2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 -3.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 -4.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -4.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9229 -2.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 18 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 37 42 1 0 0 0 0 36 43 1 0 0 0 0 35 44 1 0 0 0 0 39 19 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 47 55 1 0 0 0 0 48 41 1 0 0 0 0 S SKP 5 ID FL5FAGGS0026 FORMULA C33H40O22 EXACTMASS 788.201122964 AVERAGEMASS 788.6575 SMILES C(O)(C1OC(C6O)OC(C(C6O)O)CO)C(O)C(OC(OC(C(=O)2)=C(c(c5)cc(O)c(O)c5O)Oc(c3)c(c(O)cc(OC(O4)C(O)C(C(O)C4CO)O)3)2)1)C M END