Mol:FL3FAAGS0067
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 44 0 0 0 0 0 0 0 0999 V2000 | + | 41 44 0 0 0 0 0 0 0 0999 V2000 |
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| − | -4.2150 2.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2150 2.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
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| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
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| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
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| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
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| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 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 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0067 | + | ID FL3FAAGS0067 |
| − | KNApSAcK_ID C00013617 | + | KNApSAcK_ID C00013617 |
| − | NAME Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];Chamaemeloside;7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];Chamaemeloside;7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 173356-77-9 | + | CAS_RN 173356-77-9 |
| − | FORMULA C27H28O14 | + | FORMULA C27H28O14 |
| − | EXACTMASS 576.147905604 | + | EXACTMASS 576.147905604 |
| − | AVERAGEMASS 576.50282 | + | AVERAGEMASS 576.50282 |
| − | SMILES C(C=3)(=O)c(c2OC3c(c4)ccc(c4)O)c(O)cc(c2)OC(C(O)1)OC(C(O)C(O)1)COC(=O)CC(CC(O)=O)(C)O | + | SMILES C(C=3)(=O)c(c2OC3c(c4)ccc(c4)O)c(O)cc(c2)OC(C(O)1)OC(C(O)C(O)1)COC(=O)CC(CC(O)=O)(C)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/
41 44 0 0 0 0 0 0 0 0999 V2000
0.2879 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2879 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7168 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7168 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4313 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1458 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1458 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4313 0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8602 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5747 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2892 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2892 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5747 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8602 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4313 -2.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 -2.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0355 1.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4317 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1082 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6956 -0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8973 -0.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1038 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3148 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.5914 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0687 -0.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9516 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3961 1.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5337 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2150 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2150 1.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8632 1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 1.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0355 1.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
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
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 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
24 25 1 0 0 0 0
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
24 20 1 0 0 0 0
28 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
35 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 8
ID FL3FAAGS0067
KNApSAcK_ID C00013617
NAME Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];Chamaemeloside;7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 173356-77-9
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES C(C=3)(=O)c(c2OC3c(c4)ccc(c4)O)c(O)cc(c2)OC(C(O)1)OC(C(O)C(O)1)COC(=O)CC(CC(O)=O)(C)O
M END
