Mol:FL7DACGO0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 31 43 1 0 0 0 0 | + | 31 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DACGS0005 | + | ID FL7DACGS0005 |
| − | KNApSAcK_ID C00014756 | + | KNApSAcK_ID C00014756 |
| − | NAME Luteolinidin 5-(3-glucoside-2-acetylglucoside) | + | NAME Luteolinidin 5-(3-glucoside-2-acetylglucoside) |
| − | CAS_RN 347861-61-4 | + | CAS_RN 347861-61-4 |
| − | FORMULA C29H33O16 | + | FORMULA C29H33O16 |
| − | EXACTMASS 637.176860008 | + | EXACTMASS 637.176860008 |
| − | AVERAGEMASS 637.56272 | + | AVERAGEMASS 637.56272 |
| − | SMILES c(c12)cc(c(c5)ccc(O)c5O)[o+1]c1cc(cc2OC(C(OC(C)=O)3)OC(C(C3OC(O4)C(O)C(C(O)C4CO)O)O)CO)O | + | SMILES c(c12)cc(c(c5)ccc(O)c5O)[o+1]c1cc(cc2OC(C(OC(C)=O)3)OC(C(C3OC(O4)C(O)C(C(O)C4CO)O)O)CO)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/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.3497 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3497 0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3648 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0792 0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0792 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3648 1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7937 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5082 0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5082 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7937 1.5980 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.2062 1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9207 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6352 1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6352 2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9207 2.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2062 2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2887 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3194 1.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3648 -0.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9526 1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 -0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8362 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.1997 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
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8 9 1 0 0 0 0
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10 5 1 0 0 0 0
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3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
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25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
19 24 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 30 1 0 0 0 0
31 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
S SKP 8
ID FL7DACGS0005
KNApSAcK_ID C00014756
NAME Luteolinidin 5-(3-glucoside-2-acetylglucoside)
CAS_RN 347861-61-4
FORMULA C29H33O16
EXACTMASS 637.176860008
AVERAGEMASS 637.56272
SMILES c(c12)cc(c(c5)ccc(O)c5O)[o+1]c1cc(cc2OC(C(OC(C)=O)3)OC(C(C3OC(O4)C(O)C(C(O)C4CO)O)O)CO)O
M END
