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/ |
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− | -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 |
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− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
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− | 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