Mol:FL5FACGL0012
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8354 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8354 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8354 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8354 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1344 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1344 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4334 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4334 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4334 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4334 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1344 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1344 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7324 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7324 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0314 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0314 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0314 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0314 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7324 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7324 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7324 -0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7324 -0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8512 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8512 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5657 1.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5657 1.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2802 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2802 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2802 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2802 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5657 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5657 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8512 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8512 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1344 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1344 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0448 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0448 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4592 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4592 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6784 -0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6784 -0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5657 3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5657 3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2196 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2196 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4945 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4945 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7246 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7246 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4945 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4945 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2857 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2857 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9896 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9896 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1682 -0.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1682 -0.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4839 -2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4839 -2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0040 -3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0040 -3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4970 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4970 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4111 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4111 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7541 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7541 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5295 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5295 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6154 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6154 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2723 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2723 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1131 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1131 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9095 -2.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9095 -2.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4592 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4592 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4518 -1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4518 -1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4736 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4736 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7853 -3.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 -3.2484 0.0000 O 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 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 29 1 0 0 0 0 | + | 36 29 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 26 42 1 0 0 0 0 | + | 26 42 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 42 43 | + | M SAL 1 2 42 43 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 47 0.0209 0.6692 | + | M SBV 1 47 0.0209 0.6692 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGL0012 | + | ID FL5FACGL0012 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C2O)OC(C)C(C2O)O)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(C2O)OC(C)C(C2O)O)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/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.8354 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8354 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1344 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1344 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 -0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 1.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2802 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2802 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1344 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0448 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4592 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6784 -0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5657 3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2196 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4945 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4945 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2857 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9896 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1682 -0.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4839 -2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0040 -3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4970 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4111 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5295 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6154 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2723 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1131 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9095 -2.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4592 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4518 -1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4736 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 -3.2484 0.0000 O 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
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
16 22 1 0 0 0 0
23 24 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 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
21 24 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 29 1 0 0 0 0
42 43 1 0 0 0 0
26 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^ CH2OH
M SBV 1 47 0.0209 0.6692
S SKP 5
ID FL5FACGL0012
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C2O)OC(C)C(C2O)O)OC(CO)C(C(O)1)O)=O)O
M END
