Mol:FL3FACGS0052
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 |
| − | 0.2162 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2162 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2162 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2162 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6672 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6672 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1183 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1183 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1183 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1183 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6672 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6672 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5694 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5694 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0204 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0204 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0204 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0204 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5694 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5694 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5694 -0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5694 -0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4713 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4713 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9311 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9311 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3908 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3908 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3908 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3908 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9311 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9311 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4713 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4713 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3033 1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3033 1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6672 -0.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6672 -0.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9851 2.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9851 2.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8709 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8709 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3553 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3553 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6128 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6128 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8963 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8963 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4169 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4169 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1754 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1754 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4474 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4474 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1591 0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1591 0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1873 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1873 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9311 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9311 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2257 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2257 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6415 -0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6415 -0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8099 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8099 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8099 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8099 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3941 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3941 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9246 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9246 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4552 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4552 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4552 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4552 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9246 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9246 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3941 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3941 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9851 -2.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9851 -2.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4710 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4710 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7565 1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7565 1.6217 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 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
| − | 26 42 1 0 0 0 0 | + | 26 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 SBV 1 46 -6.5885 7.5824 | + | M SBV 1 46 -6.5885 7.5824 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0052 | + | ID FL3FACGS0052 |
| − | KNApSAcK_ID C00004312 | + | KNApSAcK_ID C00004312 |
| − | NAME Luteolin 7-(2''-p-coumaroylglucoside) | + | NAME Luteolin 7-(2''-p-coumaroylglucoside) |
| − | CAS_RN 95596-61-5 | + | CAS_RN 95596-61-5 |
| − | FORMULA C30H26O13 | + | FORMULA C30H26O13 |
| − | EXACTMASS 594.137340918 | + | EXACTMASS 594.137340918 |
| − | AVERAGEMASS 594.51964 | + | AVERAGEMASS 594.51964 |
| − | SMILES c(O)(c12)cc(OC(O5)C(C(C(C5CO)O)O)OC(=O)C=Cc(c4)ccc(c4)O)cc1OC(c(c3)cc(O)c(c3)O)=CC(=O)2 | + | SMILES c(O)(c12)cc(OC(O5)C(C(C(C5CO)O)O)OC(=O)C=Cc(c4)ccc(c4)O)cc1OC(c(c3)cc(O)c(c3)O)=CC(=O)2 |
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
0.2162 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2162 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0204 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0204 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 -0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4713 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4713 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3033 1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 -0.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 2.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8709 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3553 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6128 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8963 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1754 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4474 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1591 0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1873 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6415 -0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4552 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4552 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9851 -2.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7565 1.6217 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
29 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
26 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 SBV 1 46 -6.5885 7.5824
S SKP 8
ID FL3FACGS0052
KNApSAcK_ID C00004312
NAME Luteolin 7-(2''-p-coumaroylglucoside)
CAS_RN 95596-61-5
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES c(O)(c12)cc(OC(O5)C(C(C(C5CO)O)O)OC(=O)C=Cc(c4)ccc(c4)O)cc1OC(c(c3)cc(O)c(c3)O)=CC(=O)2
M END
