Mol:FL5FACGS0120
From Metabolomics.JP
(Difference between revisions)
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| − | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
| − | 76 77 1 1 0 0 0 | + | 76 77 1 1 0 0 0 |
| − | 77 78 1 1 0 0 0 | + | 77 78 1 1 0 0 0 |
| − | 79 78 1 1 0 0 0 | + | 79 78 1 1 0 0 0 |
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| − | 80 81 1 0 0 0 0 | + | 80 81 1 0 0 0 0 |
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| − | 81 82 1 0 0 0 0 | + | 81 82 1 0 0 0 0 |
| − | 82 83 1 0 0 0 0 | + | 82 83 1 0 0 0 0 |
| − | 76 84 1 0 0 0 0 | + | 76 84 1 0 0 0 0 |
| − | 77 85 1 0 0 0 0 | + | 77 85 1 0 0 0 0 |
| − | 79 19 1 0 0 0 0 | + | 79 19 1 0 0 0 0 |
| − | 60 78 1 0 0 0 0 | + | 60 78 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0120 | + | ID FL5FACGS0120 |
| − | KNApSAcK_ID C00013892 | + | KNApSAcK_ID C00013892 |
| − | NAME Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 352639-77-1 | + | CAS_RN 352639-77-1 |
| − | FORMULA C55H60O30 | + | FORMULA C55H60O30 |
| − | EXACTMASS 1200.31694058 | + | EXACTMASS 1200.31694058 |
| − | AVERAGEMASS 1201.0468999999998 | + | AVERAGEMASS 1201.0468999999998 |
| − | SMILES C(=O)(OC(C(OC(=C4c(c5)ccc(OC(C(O)8)OC(C(O)C(O)8)CO)c5OC(C7O)OC(C(C7O)O)COC(C=Cc(c6)cc(OC)c(O)c(OC)6)=O)C(c(c(O)3)c(O4)cc(O)c3)=O)2)C(C(C(O2)CO)O)O)C=Cc(c1)cc(OC)c(c1OC)O | + | SMILES C(=O)(OC(C(OC(=C4c(c5)ccc(OC(C(O)8)OC(C(O)C(O)8)CO)c5OC(C7O)OC(C(C7O)O)COC(C=Cc(c6)cc(OC)c(O)c(OC)6)=O)C(c(c(O)3)c(O4)cc(O)c3)=O)2)C(C(C(O2)CO)O)O)C=Cc(c1)cc(OC)c(c1OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
85 92 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL5FACGS0120
KNApSAcK_ID C00013892
NAME Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 352639-77-1
FORMULA C55H60O30
EXACTMASS 1200.31694058
AVERAGEMASS 1201.0468999999998
SMILES C(=O)(OC(C(OC(=C4c(c5)ccc(OC(C(O)8)OC(C(O)C(O)8)CO)c5OC(C7O)OC(C(C7O)O)COC(C=Cc(c6)cc(OC)c(O)c(OC)6)=O)C(c(c(O)3)c(O4)cc(O)c3)=O)2)C(C(C(O2)CO)O)O)C=Cc(c1)cc(OC)c(c1OC)O
M END
