Mol:FL3FACGS0030
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 |
| − | -0.0217 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3315 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3315 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7825 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7825 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7825 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7825 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3315 -0.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3315 -0.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5032 -2.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5032 -2.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2334 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2334 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1529 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1529 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1529 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1529 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2334 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2334 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5412 -0.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5412 -0.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 -2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 -2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7472 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7472 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1707 -1.3498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1707 -1.3498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6551 -2.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6551 -2.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9126 -1.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9126 -1.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1961 -1.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1961 -1.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7167 -1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7167 -1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4752 -1.4855 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4752 -1.4855 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7472 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7472 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4589 -2.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4589 -2.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 0.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 0.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9640 2.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.9640 2.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.8474 1.4377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8474 1.4377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.5766 1.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5766 1.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0886 0.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0886 0.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0887 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0887 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3598 1.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3598 1.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3210 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3210 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2513 1.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2513 1.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3724 0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3724 0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0842 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0842 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4967 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4967 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9936 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9936 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0652 3.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0652 3.0009 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 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 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 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 46 | + | M SBL 2 1 46 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 46 1.9936 2.0035 | + | M SVB 2 46 1.9936 2.0035 |
| − | 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 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 44 -2.7707 -0.6781 | + | M SVB 1 44 -2.7707 -0.6781 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0030 | + | ID FL3FACGS0030 |
| − | KNApSAcK_ID C00004290 | + | KNApSAcK_ID C00004290 |
| − | NAME Luteolin 7,3'-diglucoside | + | NAME Luteolin 7,3'-diglucoside |
| − | CAS_RN 52187-80-1 | + | CAS_RN 52187-80-1 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES [C@@H]([C@H](O)1)(O)[C@H](C(CO)O[C@H]1Oc(c2)cc(c(C(=O)3)c2OC(c(c4)cc(O[C@H](O5)[C@H]([C@H]([C@@H](O)C(CO)5)O)O)c(c4)O)=C3)O)O | + | SMILES [C@@H]([C@H](O)1)(O)[C@H](C(CO)O[C@H]1Oc(c2)cc(c(C(=O)3)c2OC(c(c4)cc(O[C@H](O5)[C@H]([C@H]([C@@H](O)C(CO)5)O)O)c(c4)O)=C3)O)O |
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
-0.0217 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -0.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5032 -2.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5412 -0.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7472 0.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1707 -1.3498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6551 -2.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9126 -1.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1961 -1.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7167 -1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4752 -1.4855 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7472 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 -2.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 2.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8474 1.4377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5766 1.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0886 0.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0887 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 1.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3210 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2513 1.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3724 0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0842 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4967 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0652 3.0009 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
3 4 1 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
16 30 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 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 30 1 0 0 0 0
26 40 1 0 0 0 0
40 41 1 0 0 0 0
36 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 46
M SMT 2 CH2OH
M SVB 2 46 1.9936 2.0035
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 CH2OH
M SVB 1 44 -2.7707 -0.6781
S SKP 8
ID FL3FACGS0030
KNApSAcK_ID C00004290
NAME Luteolin 7,3'-diglucoside
CAS_RN 52187-80-1
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES [C@@H]([C@H](O)1)(O)[C@H](C(CO)O[C@H]1Oc(c2)cc(c(C(=O)3)c2OC(c(c4)cc(O[C@H](O5)[C@H]([C@H]([C@@H](O)C(CO)5)O)O)c(c4)O)=C3)O)O
M END
