Mol:FL1CAAGS0008
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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| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 13 42 1 0 0 0 0 | + | 13 42 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAAGS0008 | + | ID FL1CAAGS0008 |
| − | KNApSAcK_ID C00014504 | + | KNApSAcK_ID C00014504 |
| − | NAME Chalconaringenin 2',4'-di-O-glucoside;4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside | + | NAME Chalconaringenin 2',4'-di-O-glucoside;4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside |
| − | CAS_RN 6198-23-8 | + | CAS_RN 6198-23-8 |
| − | FORMULA C27H32O15 | + | FORMULA C27H32O15 |
| − | EXACTMASS 596.174120354 | + | EXACTMASS 596.174120354 |
| − | AVERAGEMASS 596.5339799999999 | + | AVERAGEMASS 596.5339799999999 |
| − | SMILES c(c1)(c(C(C=Cc(c4)ccc(O)c4)=O)c(OC(C3O)OC(CO)C(O)C3O)cc1OC(C(O)2)OC(CO)C(O)C2O)O | + | SMILES c(c1)(c(C(C=Cc(c4)ccc(O)c4)=O)c(OC(C3O)OC(CO)C(O)C3O)cc1OC(C(O)2)OC(CO)C(O)C2O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
-0.9287 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9287 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2142 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5002 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5002 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2142 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2147 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9292 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9292 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6437 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3581 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0726 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0726 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3581 2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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41 37 1 0 0 0 0
28 34 1 0 0 0 0
13 42 1 0 0 0 0
S SKP 8
ID FL1CAAGS0008
KNApSAcK_ID C00014504
NAME Chalconaringenin 2',4'-di-O-glucoside;4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside
CAS_RN 6198-23-8
FORMULA C27H32O15
EXACTMASS 596.174120354
AVERAGEMASS 596.5339799999999
SMILES c(c1)(c(C(C=Cc(c4)ccc(O)c4)=O)c(OC(C3O)OC(CO)C(O)C3O)cc1OC(C(O)2)OC(CO)C(O)C2O)O
M END
