Mol:FL1C3AGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 48 0 0 0 0 0 0 0 0999 V2000 | + | 45 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 31 24 1 0 0 0 0 | + | 31 24 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 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 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
| − | 42 45 1 0 0 0 0 | + | 42 45 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3AGS0004 | + | ID FL1C3AGS0004 |
| − | KNApSAcK_ID C00014502 | + | KNApSAcK_ID C00014502 |
| − | NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl-6''-O-acetyl)glucoside | + | NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl-6''-O-acetyl)glucoside |
| − | CAS_RN 597550-51-1 | + | CAS_RN 597550-51-1 |
| − | FORMULA C32H30O13 | + | FORMULA C32H30O13 |
| − | EXACTMASS 622.168641046 | + | EXACTMASS 622.168641046 |
| − | AVERAGEMASS 622.5728 | + | AVERAGEMASS 622.5728 |
| − | SMILES c(c2)c(c(O)c(c(OC(O4)C(C(C(O)C4COC(C)=O)O)OC(C=Cc(c3)ccc(c3)O)=O)2)O)C(=O)C=Cc(c1)ccc(O)c1 | + | SMILES c(c2)c(c(O)c(c(OC(O4)C(C(C(O)C4COC(C)=O)O)OC(C=Cc(c3)ccc(c3)O)=O)2)O)C(=O)C=Cc(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 48 0 0 0 0 0 0 0 0999 V2000
0.7201 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7201 -0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4346 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1491 -0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1491 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4346 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8636 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5780 -0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5780 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2925 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0070 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7214 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7214 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0070 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2925 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8636 -1.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4100 2.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6032 0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1362 2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 30 1 0 0 0 0
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35 36 2 0 0 0 0
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41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 39 1 0 0 0 0
42 45 1 0 0 0 0
27 35 1 0 0 0 0
S SKP 8
ID FL1C3AGS0004
KNApSAcK_ID C00014502
NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl-6''-O-acetyl)glucoside
CAS_RN 597550-51-1
FORMULA C32H30O13
EXACTMASS 622.168641046
AVERAGEMASS 622.5728
SMILES c(c2)c(c(O)c(c(OC(O4)C(C(C(O)C4COC(C)=O)O)OC(C=Cc(c3)ccc(c3)O)=O)2)O)C(=O)C=Cc(c1)ccc(O)c1
M END
