Mol:FL5FAAGA0041
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 |
| − | -3.3627 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3627 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3627 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3627 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6119 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6119 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8610 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8610 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8610 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8610 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6119 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6119 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3592 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3592 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3592 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3592 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 1.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 1.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5863 2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5863 2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3516 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3516 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1168 2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1168 2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1168 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1168 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3516 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3516 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5863 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5863 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6119 -0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6119 -0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9360 3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9360 3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0587 2.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0587 2.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4903 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4903 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6367 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6367 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2307 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2307 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0116 0.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0116 0.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7971 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7971 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2033 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2033 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4224 0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4224 0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8306 0.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8306 0.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7273 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7273 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1221 1.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1221 1.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4752 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4752 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9482 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9482 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7263 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7263 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3809 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3809 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0450 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0450 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7133 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7133 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0587 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0587 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3944 -1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3944 -1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6671 -2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6671 -2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7892 -1.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7892 -1.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0697 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0697 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7065 -2.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7065 -2.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2003 -2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2003 -2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8643 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8643 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5325 -2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5325 -2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8780 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8780 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 -2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 -2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4864 -3.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4864 -3.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2677 -2.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2677 -2.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1537 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1537 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5614 -3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5614 -3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6709 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6709 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1606 -3.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1606 -3.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2446 -3.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2446 -3.0334 0.0000 C 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 |
| − | 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 45 49 1 0 0 0 0 | + | 45 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
| − | 47 40 1 0 0 0 0 | + | 47 40 1 0 0 0 0 |
| − | 39 53 1 0 0 0 0 | + | 39 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGA0041 | + | ID FL5FAAGA0041 |
| − | FORMULA C35H42O20 | + | FORMULA C35H42O20 |
| − | EXACTMASS 782.226943784 | + | EXACTMASS 782.226943784 |
| − | AVERAGEMASS 782.69598 | + | AVERAGEMASS 782.69598 |
| − | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(O)C(O)C4COC(O5)C(O)C(OC(C)=O)C(OC(O6)C(C(C(O)C6C)O)O)C(C)5)2)Oc(c3)c(c(cc3O)O)C2=O)c1 | + | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(O)C(O)C4COC(O5)C(O)C(OC(C)=O)C(OC(O6)C(C(C(O)C6C)O)O)C(C)5)2)Oc(c3)c(c(cc3O)O)C2=O)c1 |
M END | M END | ||
| − | |||
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
-3.3627 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3627 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6119 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6119 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3592 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3592 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 1.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3516 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1168 2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1168 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3516 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6119 -0.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9360 3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0587 2.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4903 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6367 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2307 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0116 0.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2033 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4224 0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8306 0.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7273 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1221 1.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4752 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9482 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7263 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3809 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0450 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0587 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3944 -1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6671 -2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7892 -1.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7065 -2.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2003 -2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8643 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5325 -2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8780 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 -2.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4864 -3.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2677 -2.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1537 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5614 -3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6709 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1606 -3.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2446 -3.0334 0.0000 C 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
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
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
25 31 1 0 0 0 0
23 21 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
33 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
45 49 1 0 0 0 0
44 50 1 0 0 0 0
43 51 1 0 0 0 0
46 52 1 0 0 0 0
47 40 1 0 0 0 0
39 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
S SKP 5
ID FL5FAAGA0041
FORMULA C35H42O20
EXACTMASS 782.226943784
AVERAGEMASS 782.69598
SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(O)C(O)C4COC(O5)C(O)C(OC(C)=O)C(OC(O6)C(C(C(O)C6C)O)O)C(C)5)2)Oc(c3)c(c(cc3O)O)C2=O)c1
M END
