Mol:FL5FADGL0041
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 46 0 0 0 0 0 0 0 0999 V2000 | + | 43 46 0 0 0 0 0 0 0 0999 V2000 |
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| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
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| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGL0041 | + | ID FL5FADGL0041 |
| − | KNApSAcK_ID C00011133 | + | KNApSAcK_ID C00011133 |
| − | NAME Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one | + | NAME Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 600736-88-7 | + | CAS_RN 600736-88-7 |
| − | FORMULA C28H28O15 | + | FORMULA C28H28O15 |
| − | EXACTMASS 604.1428202259999 | + | EXACTMASS 604.1428202259999 |
| − | AVERAGEMASS 604.51292 | + | AVERAGEMASS 604.51292 |
| − | SMILES c(c1C(O3)=C(C(=O)c(c4O)c(cc(O)c4)3)OC(O2)C(OC(C)=O)C(C(OC(C)=O)C2CO)OC(C)=O)c(OC)c(O)cc1 | + | SMILES c(c1C(O3)=C(C(=O)c(c4O)c(cc(O)c4)3)OC(O2)C(OC(C)=O)C(C(OC(C)=O)C2CO)OC(C)=O)c(OC)c(O)cc1 |
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 46 0 0 0 0 0 0 0 0999 V2000
-2.5619 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5619 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2284 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2284 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5622 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5622 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7159 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7159 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9257 2.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7159 2.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1384 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4946 -3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2885 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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28 27 1 1 0 0 0
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37 39 1 0 0 0 0
24 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
S SKP 8
ID FL5FADGL0041
KNApSAcK_ID C00011133
NAME Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 600736-88-7
FORMULA C28H28O15
EXACTMASS 604.1428202259999
AVERAGEMASS 604.51292
SMILES c(c1C(O3)=C(C(=O)c(c4O)c(cc(O)c4)3)OC(O2)C(OC(C)=O)C(C(OC(C)=O)C2CO)OC(C)=O)c(OC)c(O)cc1
M END
