Mol:FL2FABGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.9931 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9931 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9931 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9931 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2979 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3974 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3974 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3974 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3974 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2979 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0926 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0926 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0926 1.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0926 1.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4827 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4827 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1973 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1973 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9118 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9118 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9118 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9118 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1973 2.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1973 2.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4827 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4827 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2979 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6878 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6878 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3986 0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3986 0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8613 0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8613 0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2151 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2151 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4212 0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4212 0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1536 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1536 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9476 0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9476 0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7910 0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7910 0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4177 0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4177 0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0078 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0078 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0926 -1.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0926 -1.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4762 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4762 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9702 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9702 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0201 -1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0201 -1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0644 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0644 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5703 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5703 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5204 -1.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5204 -1.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0644 -2.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0644 -2.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2196 -2.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2196 -2.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5623 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5623 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1639 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1639 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5103 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5103 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6174 1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6174 1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6248 2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6248 2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6174 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6174 1.7837 0.0000 C 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 20 23 1 1 0 0 0 | + | 20 23 1 1 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 7 29 2 0 0 0 0 | + | 7 29 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 34 26 1 0 0 0 0 | + | 34 26 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 25 40 1 0 0 0 0 | + | 25 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 14 42 1 0 0 0 0 | + | 14 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 45 0.5627 -0.4490 | + | M SBV 1 45 0.5627 -0.4490 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 47 -0.7130 -0.4116 | + | M SBV 2 47 -0.7130 -0.4116 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FABGS0001 | + | ID FL2FABGS0001 |
| − | FORMULA C28H33HO14 | + | FORMULA C28H33HO14 |
| − | EXACTMASS 594.194855796 | + | EXACTMASS 594.194855796 |
| − | AVERAGEMASS 594.56116 | + | AVERAGEMASS 594.56116 |
| − | SMILES c(OC)(c1)ccc(C(O5)(CC(=O)c(c52)c(cc(OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)c2)O)[H])c1 | + | SMILES c(OC)(c1)ccc(C(O5)(CC(=O)c(c52)c(cc(OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)c2)O)[H])c1 |
M END | M END | ||
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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
-0.9931 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9931 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3974 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3974 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0926 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0926 1.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1973 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1973 2.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6878 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3986 0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8613 0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2151 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4212 0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1536 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9476 0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7910 0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4177 0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0078 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0926 -1.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4762 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9702 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0201 -1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0644 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5703 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5204 -1.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0644 -2.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2196 -2.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5623 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1639 -0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5103 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6174 1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6248 2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6174 1.7837 0.0000 C 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
9 17 1 1 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
20 23 1 1 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
23 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
7 29 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
30 39 1 0 0 0 0
34 26 1 0 0 0 0
40 41 1 0 0 0 0
25 40 1 0 0 0 0
42 43 1 0 0 0 0
14 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 0.5627 -0.4490
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 OCH3
M SBV 2 47 -0.7130 -0.4116
S SKP 5
ID FL2FABGS0001
FORMULA C28H33HO14
EXACTMASS 594.194855796
AVERAGEMASS 594.56116
SMILES c(OC)(c1)ccc(C(O5)(CC(=O)c(c52)c(cc(OC(C3OC(O4)C(O)C(C(C4C)O)O)OC(C(C3O)O)CO)c2)O)[H])c1
M END
