Mol:FL5FACGA0029
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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| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
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| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
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| − | 40 42 2 0 0 0 0 | + | 40 42 2 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGA0029 | + | ID FL5FACGA0029 |
| − | KNApSAcK_ID C00005948 | + | KNApSAcK_ID C00005948 |
| − | NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] | + | NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] |
| − | CAS_RN 106915-93-9 | + | CAS_RN 106915-93-9 |
| − | FORMULA C27H28O16 | + | FORMULA C27H28O16 |
| − | EXACTMASS 608.137734848 | + | EXACTMASS 608.137734848 |
| − | AVERAGEMASS 608.50162 | + | AVERAGEMASS 608.50162 |
| − | SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)O | + | SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)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/
43 46 0 0 0 0 0 0 0 0999 V2000
-4.4387 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4387 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3261 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3261 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7698 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7698 1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7698 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0276 -2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3756 -1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -2.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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23 24 1 0 0 0 0
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22 21 1 1 0 0 0
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37 38 1 0 0 0 0
37 39 1 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
37 43 1 0 0 0 0
S SKP 8
ID FL5FACGA0029
KNApSAcK_ID C00005948
NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
CAS_RN 106915-93-9
FORMULA C27H28O16
EXACTMASS 608.137734848
AVERAGEMASS 608.50162
SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)O
M END
