Mol:FL5FACGS0066
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
− | 1.1147 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1147 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8290 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8290 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5435 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5435 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5435 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5435 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8290 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8290 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4002 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3143 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0288 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0288 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3143 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4002 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7431 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7431 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4576 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4576 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4576 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4576 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7431 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7431 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3143 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1721 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1721 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1147 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7431 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7431 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1354 3.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1354 3.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1721 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1721 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3755 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3755 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8084 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8084 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3755 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3755 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1762 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1762 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7408 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7408 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8084 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8084 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2183 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2183 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7408 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7408 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2990 -3.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2990 -3.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8884 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8884 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0929 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0929 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3289 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3289 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0534 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0534 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2579 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2579 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1641 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1641 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8807 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3203 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3203 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3330 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3330 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7043 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7043 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1875 -0.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1875 -0.7680 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 |
− | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
− | 27 23 1 1 0 0 0 | + | 27 23 1 1 0 0 0 |
− | 26 28 1 1 0 0 0 | + | 26 28 1 1 0 0 0 |
− | 28 24 1 0 0 0 0 | + | 28 24 1 0 0 0 0 |
− | 29 26 1 0 0 0 0 | + | 29 26 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
− | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
− | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
− | 35 19 1 0 0 0 0 | + | 35 19 1 0 0 0 0 |
− | 26 42 1 0 0 0 0 | + | 26 42 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGS0066 | + | ID FL5FACGS0066 |
− | FORMULA C26H28O16 | + | FORMULA C26H28O16 |
− | EXACTMASS 596.137734848 | + | EXACTMASS 596.137734848 |
− | AVERAGEMASS 596.49092 | + | AVERAGEMASS 596.49092 |
− | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)O | + | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 1.1147 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 3.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -3.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0534 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7043 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.7680 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 28 23 1 1 0 0 0 27 23 1 1 0 0 0 26 28 1 1 0 0 0 28 24 1 0 0 0 0 29 26 1 0 0 0 0 27 29 1 0 0 0 0 23 25 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 19 1 0 0 0 0 26 42 1 0 0 0 0 S SKP 5 ID FL5FACGS0066 FORMULA C26H28O16 EXACTMASS 596.137734848 AVERAGEMASS 596.49092 SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)O M END