Mol:FL5FADGA0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3246 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3246 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3246 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3246 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2120 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2120 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2120 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2120 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6557 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6557 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0994 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0994 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0994 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0994 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6557 1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6557 1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6557 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6557 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4567 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4567 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0237 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0237 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5906 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5906 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5906 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5906 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0237 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0237 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4567 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4567 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 -0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 -0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8807 1.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8807 1.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4566 2.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4566 2.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2947 0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2947 0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0833 -0.7790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0833 -0.7790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4119 -0.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.4119 -0.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.6250 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6250 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4119 -1.8868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.4119 -1.8868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0833 -2.2745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.0833 -2.2745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.8704 -1.5290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8704 -1.5290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8904 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8904 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4819 -1.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4819 -1.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4058 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4058 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9605 -0.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.9605 -0.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.6859 -0.8809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6859 -0.8809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.1645 -0.3765 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.1645 -0.3765 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.9863 0.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9863 0.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2609 0.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.2609 0.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7822 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7822 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4494 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4494 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4014 -1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4014 -1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8375 -1.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8375 -1.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8807 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8807 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3071 3.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3071 3.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7485 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2327 -2.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2327 -2.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7629 -3.0511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7629 -3.0511 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 |
| − | 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 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 |
| − | 35 28 1 0 0 0 0 | + | 35 28 1 0 0 0 0 |
| − | 16 41 1 0 0 0 0 | + | 16 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 25 43 1 0 0 0 0 | + | 25 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 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 43 44 | + | M SAL 2 2 43 44 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 47 0.886 -2.5753 | + | M SVB 2 47 0.886 -2.5753 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 45 1.3071 3.1586 | + | M SVB 1 45 1.3071 3.1586 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGA0006 | + | ID FL5FADGA0006 |
| − | KNApSAcK_ID C00005537 | + | KNApSAcK_ID C00005537 |
| − | NAME Isorhamnetin 3-rhamnosyl-(1->2)-galactoside | + | NAME Isorhamnetin 3-rhamnosyl-(1->2)-galactoside |
| − | CAS_RN 128508-13-4 | + | CAS_RN 128508-13-4 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES [C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)2)[C@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c3O4)c(cc(c3)O)O)O[C@H](CO)[C@H](O)2)O)O | + | SMILES [C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)2)[C@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c3O4)c(cc(c3)O)O)O[C@H](CO)[C@H](O)2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.3246 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3246 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4567 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8807 1.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4566 2.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2947 0.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 -0.7790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4119 -0.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6250 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4119 -1.8868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0833 -2.2745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8704 -1.5290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8904 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 -1.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4058 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 -0.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6859 -0.8809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1645 -0.3765 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.9863 0.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2609 0.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7822 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4494 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4014 -1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8375 -1.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3071 3.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2327 -2.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7629 -3.0511 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 28 1 0 0 0 0
16 41 1 0 0 0 0
41 42 1 0 0 0 0
25 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 47
M SMT 2 CH2OH
M SVB 2 47 0.886 -2.5753
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 45
M SMT 1 OCH3
M SVB 1 45 1.3071 3.1586
S SKP 8
ID FL5FADGA0006
KNApSAcK_ID C00005537
NAME Isorhamnetin 3-rhamnosyl-(1->2)-galactoside
CAS_RN 128508-13-4
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES [C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)2)[C@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c3O4)c(cc(c3)O)O)O[C@H](CO)[C@H](O)2)O)O
M END
