Mol:FL5FAGGM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7787 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7787 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0642 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0642 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0642 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0642 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7787 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7787 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4931 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4931 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4931 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4931 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3497 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3497 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3648 -0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3648 -0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0792 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0792 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0792 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0792 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3648 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3648 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3497 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3497 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7937 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7937 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5082 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5082 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5082 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5082 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7937 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7937 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3648 -2.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3648 -2.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0966 1.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0966 1.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9589 -1.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9589 -1.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7937 -2.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7937 -2.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2307 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2307 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7787 1.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7787 1.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2307 -0.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2307 -0.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7787 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7787 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3482 -2.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3482 -2.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7608 -3.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7608 -3.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0327 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0327 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8310 -3.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8310 -3.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2437 -2.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2437 -2.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4502 -3.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4502 -3.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8676 -4.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8676 -4.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3390 -3.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3390 -3.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1746 -3.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1746 -3.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0621 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0621 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1277 1.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1277 1.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5527 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5527 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1528 3.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1528 3.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6721 3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6721 3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0971 2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0971 2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6972 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6972 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1216 1.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1216 1.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9208 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9208 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0714 4.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0714 4.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3764 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3764 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8008 3.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8008 3.3701 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 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 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 |
| − | 14 21 1 0 0 0 0 | + | 14 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 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 22 44 1 0 0 0 0 | + | 22 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGM0001 | + | ID FL5FAGGM0001 |
| − | FORMULA C29H26O16 | + | FORMULA C29H26O16 |
| − | EXACTMASS 630.122084784 | + | EXACTMASS 630.122084784 |
| − | AVERAGEMASS 630.5071399999999 | + | AVERAGEMASS 630.5071399999999 |
| − | SMILES c(c5O)c(c(C(=O)3)c(c5)OC(=C3OC(O4)C(C(O)C(C(C)4)O)O)c(c(C)2)cc(c(O)c2O)OC(=O)c(c1)cc(c(c1O)O)O)O | + | SMILES c(c5O)c(c(C(=O)3)c(c5)OC(=C3OC(O4)C(C(O)C(C(C)4)O)O)c(c(C)2)cc(c(O)c2O)OC(=O)c(c1)cc(c(c1O)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
1.7787 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0642 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0642 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7787 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4931 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4931 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 -0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5082 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5082 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 -2.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0966 1.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9589 -1.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 -2.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2307 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7787 1.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2307 -0.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7787 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3482 -2.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7608 -3.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0327 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8310 -3.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2437 -2.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4502 -3.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8676 -4.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3390 -3.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1746 -3.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0621 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1277 1.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1528 3.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6721 3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0971 2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6972 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1216 1.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9208 2.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0714 4.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8008 3.3701 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
11 17 2 0 0 0 0
5 18 1 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
1 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
26 33 1 0 0 0 0
25 34 1 0 0 0 0
29 19 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
39 42 1 0 0 0 0
38 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
22 44 1 0 0 0 0
S SKP 5
ID FL5FAGGM0001
FORMULA C29H26O16
EXACTMASS 630.122084784
AVERAGEMASS 630.5071399999999
SMILES c(c5O)c(c(C(=O)3)c(c5)OC(=C3OC(O4)C(C(O)C(C(C)4)O)O)c(c(C)2)cc(c(O)c2O)OC(=O)c(c1)cc(c(c1O)O)O)O
M END
