Mol:FL5FACGS0112
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 68 74 0 0 0 0 0 0 0 0999 V2000 | + | 68 74 0 0 0 0 0 0 0 0999 V2000 |
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| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
| − | 48 44 1 0 0 0 0 | + | 48 44 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 56 58 1 0 0 0 0 | + | 56 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 65 60 1 0 0 0 0 | + | 65 60 1 0 0 0 0 |
| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
| − | 62 67 1 0 0 0 0 | + | 62 67 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 52 56 1 0 0 0 0 | + | 52 56 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0112 | + | ID FL5FACGS0112 |
| − | KNApSAcK_ID C00013884 | + | KNApSAcK_ID C00013884 |
| − | NAME Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside;3-[[O-6-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one | + | NAME Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside;3-[[O-6-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 197294-29-4 | + | CAS_RN 197294-29-4 |
| − | FORMULA C43H48O25 | + | FORMULA C43H48O25 |
| − | EXACTMASS 964.2484670859999 | + | EXACTMASS 964.2484670859999 |
| − | AVERAGEMASS 964.82622 | + | AVERAGEMASS 964.82622 |
| − | SMILES c(c1C=CC(=O)OCC(C2O)OC(OC(C3OC(C4O)C(OC(C(=O)5)=C(c(c7)cc(c(c7)O)O)Oc(c6)c5c(O)cc(O)6)OC(C4O)CO)C(O)C(O)C(O3)CO)C(O)C2O)c(OC)c(cc1)O | + | SMILES c(c1C=CC(=O)OCC(C2O)OC(OC(C3OC(C4O)C(OC(C(=O)5)=C(c(c7)cc(c(c7)O)O)Oc(c6)c5c(O)cc(O)6)OC(C4O)CO)C(O)C(O)C(O3)CO)C(O)C2O)c(OC)c(cc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
68 74 0 0 0 0 0 0 0 0999 V2000
3.8757 2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1613 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1613 3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8757 4.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5902 3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5902 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4468 2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 3.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0179 2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0179 1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4468 1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 0.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1256 3.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0458 1.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.6772 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4041 0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0005 -0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.1334 -1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0639 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9414 -4.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7640 -4.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0454 -3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL5FACGS0112
KNApSAcK_ID C00013884
NAME Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside;3-[[O-6-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 197294-29-4
FORMULA C43H48O25
EXACTMASS 964.2484670859999
AVERAGEMASS 964.82622
SMILES c(c1C=CC(=O)OCC(C2O)OC(OC(C3OC(C4O)C(OC(C(=O)5)=C(c(c7)cc(c(c7)O)O)Oc(c6)c5c(O)cc(O)6)OC(C4O)CO)C(O)C(O)C(O3)CO)C(O)C2O)c(OC)c(cc1)O
M END
