Mol:FL2FEAGS0002
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 |
| − | -0.9362 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9362 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2236 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2236 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9330 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9330 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2163 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2163 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4964 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4964 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4927 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4927 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2127 -0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2127 -0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9253 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9253 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9216 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9216 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2053 0.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2053 0.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5754 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5754 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2915 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2915 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0043 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0043 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0012 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0012 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2851 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2851 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5722 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5722 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2137 -1.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2137 -1.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5617 0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5617 0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2163 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2163 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6837 2.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6837 2.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5550 -0.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5550 -0.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0850 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0850 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6723 -1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6723 -1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8740 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8740 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0805 -1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0805 -1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4931 -0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4931 -0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2915 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2915 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4484 -0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4484 -0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9283 -0.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9283 -0.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5682 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5682 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1210 -1.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1210 -1.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0455 -2.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0455 -2.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2005 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2005 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7878 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7878 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9895 0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9895 0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1960 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1960 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6086 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6086 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4070 0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4070 0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5639 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5639 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0438 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0438 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6837 0.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6837 0.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2365 0.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2365 0.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2435 -0.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2435 -0.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 36 18 1 0 0 0 0 | + | 36 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEAGS0002 | + | ID FL2FEAGS0002 |
| − | KNApSAcK_ID C00014329 | + | KNApSAcK_ID C00014329 |
| − | NAME 5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside | + | NAME 5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside |
| − | CAS_RN 501434-65-7 | + | CAS_RN 501434-65-7 |
| − | FORMULA C27H32O16 | + | FORMULA C27H32O16 |
| − | EXACTMASS 612.1690349759999 | + | EXACTMASS 612.1690349759999 |
| − | AVERAGEMASS 612.53338 | + | AVERAGEMASS 612.53338 |
| − | SMILES Oc(c1OC(C(O)5)OC(C(C(O)5)O)CO)c(C3=O)c(OC(c(c4)ccc(c4)O)C3)cc(OC(C2O)OC(CO)C(C2O)O)1 | + | SMILES Oc(c1OC(C(O)5)OC(C(C(O)5)O)CO)c(C3=O)c(OC(c(c4)ccc(c4)O)C3)cc(OC(C2O)OC(CO)C(C2O)O)1 |
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
-0.9362 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2236 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4927 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2127 -0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9253 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9216 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2053 0.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5754 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2915 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0043 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0012 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2851 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2137 -1.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5617 0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6837 2.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5550 -0.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0850 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6723 -1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8740 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0805 -1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4931 -0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2915 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4484 -0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9283 -0.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5682 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1210 -1.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0455 -2.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2005 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7878 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9895 0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1960 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4070 0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5639 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0438 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6837 0.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2365 0.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2435 -0.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
3 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
25 21 1 0 0 0 0
36 18 1 0 0 0 0
S SKP 8
ID FL2FEAGS0002
KNApSAcK_ID C00014329
NAME 5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside
CAS_RN 501434-65-7
FORMULA C27H32O16
EXACTMASS 612.1690349759999
AVERAGEMASS 612.53338
SMILES Oc(c1OC(C(O)5)OC(C(C(O)5)O)CO)c(C3=O)c(OC(c(c4)ccc(c4)O)C3)cc(OC(C2O)OC(CO)C(C2O)O)1
M END
