Mol:FL5FADGS0012
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 |
| − | -2.6645 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6645 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6645 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6645 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1082 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1082 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5519 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5519 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5519 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5519 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1082 1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1082 1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9956 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9956 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4393 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4393 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4393 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4393 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9956 1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9956 1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9956 -0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9956 -0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2612 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2612 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8282 0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8282 0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3952 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3952 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3952 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3952 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8282 2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8282 2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2612 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2612 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1082 -0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1082 -0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2612 2.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2612 2.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3290 1.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3290 1.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0047 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0047 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6611 -1.3537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.6611 -1.3537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.1965 -1.6628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.1965 -1.6628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0266 -1.0684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0266 -1.0684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1965 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1965 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6611 -0.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6611 -0.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.8309 -0.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8309 -0.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.4875 -0.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4875 -0.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2854 -1.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2854 -1.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0673 -2.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0673 -2.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5552 -1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5552 -1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4349 -1.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.4349 -1.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.9703 -2.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9703 -2.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8004 -1.6252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8004 -1.6252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.9703 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9703 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4349 -0.7180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4349 -0.7180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6047 -1.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6047 -1.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2612 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2612 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0592 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0592 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0570 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0570 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3290 -1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3290 -1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1116 2.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1116 2.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5530 3.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5530 3.5991 0.0000 C 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 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 28 1 0 0 0 0 | + | 36 28 1 0 0 0 0 |
| − | 16 42 1 0 0 0 0 | + | 16 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 46 1.1116 2.7018 | + | M SVB 1 46 1.1116 2.7018 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGS0012 | + | ID FL5FADGS0012 |
| − | KNApSAcK_ID C00005550 | + | KNApSAcK_ID C00005550 |
| − | NAME Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside | + | NAME Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside |
| − | CAS_RN 121064-69-5 | + | CAS_RN 121064-69-5 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES O[C@@H]([C@H]1O)C(O[C@H](OC(=C4c(c5)ccc(O)c(OC)5)C(=O)c(c3O4)c(cc(c3)O)O)[C@H]1O[C@H]([C@H]2O)OC(C)[C@H]([C@H]2O)O)C | + | SMILES O[C@@H]([C@H]1O)C(O[C@H](OC(=C4c(c5)ccc(O)c(OC)5)C(=O)c(c3O4)c(cc(c3)O)O)[C@H]1O[C@H]([C@H]2O)OC(C)[C@H]([C@H]2O)O)C |
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
-2.6645 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6645 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5519 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5519 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9956 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9956 1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9956 -0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2612 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8282 0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8282 2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2612 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 -0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2612 2.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3290 1.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0047 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6611 -1.3537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1965 -1.6628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0266 -1.0684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1965 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6611 -0.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8309 -0.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4875 -0.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 -1.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0673 -2.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5552 -1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 -1.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9703 -2.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8004 -1.6252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9703 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 -0.7180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6047 -1.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2612 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0570 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3290 -1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1116 2.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5530 3.5991 0.0000 C 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 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 28 1 0 0 0 0
16 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 OCH3
M SVB 1 46 1.1116 2.7018
S SKP 8
ID FL5FADGS0012
KNApSAcK_ID C00005550
NAME Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside
CAS_RN 121064-69-5
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES O[C@@H]([C@H]1O)C(O[C@H](OC(=C4c(c5)ccc(O)c(OC)5)C(=O)c(c3O4)c(cc(c3)O)O)[C@H]1O[C@H]([C@H]2O)OC(C)[C@H]([C@H]2O)O)C
M END
