Mol:FL3FACGS0025
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 |
| − | 0.6566 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6566 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6566 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6566 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1077 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1077 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5588 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5588 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5588 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5588 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1077 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1077 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0098 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0098 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4609 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4609 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4609 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4609 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0098 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0098 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1815 -1.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1815 -1.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9118 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9118 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3715 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3715 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8312 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8312 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8312 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8312 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3715 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3715 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9118 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9118 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1371 -0.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1371 -0.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1077 -1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1077 -1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4256 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4256 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3715 1.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3715 1.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5955 -1.1148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.5955 -1.1148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0798 -1.7955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0798 -1.7955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3373 -1.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3373 -1.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6209 -1.4990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6209 -1.4990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1415 -0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1415 -0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9000 -1.2506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.9000 -1.2506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.1720 -1.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1720 -1.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8836 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8836 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9119 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9119 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8181 1.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.8181 1.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -4.3038 1.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -4.3038 1.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.9636 0.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.9636 0.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.9636 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.9636 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.4779 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4779 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8181 0.9089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.8181 0.9089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.5967 2.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5967 2.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0917 1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0917 1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1534 -0.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1534 -0.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4494 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4494 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4256 0.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4256 0.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0212 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0212 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5212 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5212 1.7749 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 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 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 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 27 1 0 0 0 0 | + | 40 27 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 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 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 46 | + | M SBL 1 1 46 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 46 -3.0212 0.9089 | + | M SVB 1 46 -3.0212 0.9089 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0025 | + | ID FL3FACGS0025 |
| − | KNApSAcK_ID C00004284 | + | KNApSAcK_ID C00004284 |
| − | NAME Luteolin 7-gentiobioside | + | NAME Luteolin 7-gentiobioside |
| − | CAS_RN 70855-41-3 | + | CAS_RN 70855-41-3 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES c(c3)(c(c(O)cc(O[C@@H]([C@@H](O)4)OC(CO[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H](O)[C@@H]4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O | + | SMILES c(c3)(c(c(O)cc(O[C@@H]([C@@H](O)4)OC(CO[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H](O)[C@@H]4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)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
0.6566 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6566 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1077 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5588 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5588 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1077 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0098 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4609 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4609 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0098 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1815 -1.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9118 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3715 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3715 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9118 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1371 -0.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1077 -1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4256 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3715 1.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 -1.1148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0798 -1.7955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3373 -1.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6209 -1.4990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1415 -0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9000 -1.2506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.1720 -1.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8836 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 1.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3038 1.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9636 0.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9636 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.4779 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 0.9089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5967 2.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0917 1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1534 -0.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4494 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4256 0.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0212 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5212 1.7749 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
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 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
34 39 1 0 0 0 0
39 40 1 0 0 0 0
40 27 1 0 0 0 0
33 41 1 0 0 0 0
36 42 1 0 0 0 0
42 43 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 46
M SMT 1 CH2OH
M SVB 1 46 -3.0212 0.9089
S SKP 8
ID FL3FACGS0025
KNApSAcK_ID C00004284
NAME Luteolin 7-gentiobioside
CAS_RN 70855-41-3
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c3)(c(c(O)cc(O[C@@H]([C@@H](O)4)OC(CO[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H](O)[C@@H]4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M END
