Mol:FL5FAGGS0018
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9072 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9072 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9072 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9072 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6408 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6408 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6408 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6408 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4401 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4401 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2934 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2934 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2934 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2934 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4401 2.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4401 2.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1149 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1149 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8455 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8455 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5761 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5761 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5761 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5761 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8455 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8455 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1149 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1149 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8455 4.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8455 4.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2906 4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2906 4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2383 2.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2383 2.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9420 1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9420 1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2906 2.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2906 2.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9072 0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9072 0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4401 0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4401 0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5275 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5275 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9705 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9705 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1185 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1185 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7385 -0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7385 -0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1816 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1816 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3296 -0.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3296 -0.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2699 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2699 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6922 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6922 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3912 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3912 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3899 -1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3899 -1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9429 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9429 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5747 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5747 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7311 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7311 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4555 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4555 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0037 -1.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0037 -1.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4521 -2.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4521 -2.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7516 -2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7516 -2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7516 -3.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7516 -3.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4521 -4.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4521 -4.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1527 -3.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1527 -3.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1527 -2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1527 -2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4522 -4.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4522 -4.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7634 -4.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7634 -4.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2116 -4.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2116 -4.1001 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 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 7 23 2 0 0 0 0 | + | 7 23 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 26 35 1 0 0 0 0 | + | 26 35 1 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 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 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
| − | 42 45 1 0 0 0 0 | + | 42 45 1 0 0 0 0 |
| − | 43 46 1 0 0 0 0 | + | 43 46 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0018 | + | ID FL5FAGGS0018 |
| − | FORMULA C30H26O17 | + | FORMULA C30H26O17 |
| − | EXACTMASS 658.116999406 | + | EXACTMASS 658.116999406 |
| − | AVERAGEMASS 658.51724 | + | AVERAGEMASS 658.51724 |
| − | SMILES c(c31)c(cc(O)c(C(=O)C(OC(O4)C(OC(=O)c(c5)cc(O)c(c(O)5)O)C(C(C4C)OC(C)=O)O)=C(O3)c(c2)cc(c(c(O)2)O)O)1)O | + | SMILES c(c31)c(cc(O)c(C(=O)C(OC(O4)C(OC(=O)c(c5)cc(O)c(c(O)5)O)C(C(C4C)OC(C)=O)O)=C(O3)c(c2)cc(c(c(O)2)O)O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.9072 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9072 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6408 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6408 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2934 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2934 2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 2.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1149 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8455 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5761 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5761 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8455 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1149 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8455 4.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2906 4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2383 2.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9420 1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2906 2.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9072 0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5275 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9705 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1185 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7385 -0.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3296 -0.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2699 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 -1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9429 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5747 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4555 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 -1.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4521 -2.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 -2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 -3.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4521 -4.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1527 -3.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1527 -2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4522 -4.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7634 -4.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2116 -4.1001 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
15 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
8 20 1 0 0 0 0
5 21 1 0 0 0 0
1 22 1 0 0 0 0
7 23 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
20 28 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
26 35 1 0 0 0 0
27 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 39 1 0 0 0 0
42 45 1 0 0 0 0
43 46 1 0 0 0 0
41 47 1 0 0 0 0
S SKP 5
ID FL5FAGGS0018
FORMULA C30H26O17
EXACTMASS 658.116999406
AVERAGEMASS 658.51724
SMILES c(c31)c(cc(O)c(C(=O)C(OC(O4)C(OC(=O)c(c5)cc(O)c(c(O)5)O)C(C(C4C)OC(C)=O)O)=C(O3)c(c2)cc(c(c(O)2)O)O)1)O
M END
