Mol:FL3FAAGS0037
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 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
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| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 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 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0037 | + | ID FL3FAAGS0037 |
| − | KNApSAcK_ID C00004173 | + | KNApSAcK_ID C00004173 |
| − | NAME Apigenin 7-(6''-E-Caffeoylglucoside);7-[[6-O-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Apigenin 7-(6''-E-Caffeoylglucoside);7-[[6-O-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 52073-84-4 | + | CAS_RN 52073-84-4 |
| − | FORMULA C30H26O13 | + | FORMULA C30H26O13 |
| − | EXACTMASS 594.137340918 | + | EXACTMASS 594.137340918 |
| − | AVERAGEMASS 594.51964 | + | AVERAGEMASS 594.51964 |
| − | SMILES c(O)(c5)ccc(c5)C(O4)=CC(c(c34)c(cc(c3)OC(O1)C(C(C(C(COC(C=Cc(c2)ccc(O)c2O)=O)1)O)O)O)O)=O | + | SMILES c(O)(c5)ccc(c5)C(O4)=CC(c(c34)c(cc(c3)OC(O1)C(C(C(C(COC(C=Cc(c2)ccc(O)c2O)=O)1)O)O)O)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 47 0 0 0 0 0 0 0 0999 V2000
-0.3625 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7501 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7501 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 -0.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3064 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8627 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8627 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3064 -0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3064 -2.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4188 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9858 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5527 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5527 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9858 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4188 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9186 -0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 -2.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1196 0.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2312 -0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5666 -1.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 -0.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0348 -0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0348 0.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4213 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7350 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8290 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5163 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9020 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5886 0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3514 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5886 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 1.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3509 2.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
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14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
40 43 1 0 0 0 0
S SKP 8
ID FL3FAAGS0037
KNApSAcK_ID C00004173
NAME Apigenin 7-(6''-E-Caffeoylglucoside);7-[[6-O-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 52073-84-4
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES c(O)(c5)ccc(c5)C(O4)=CC(c(c34)c(cc(c3)OC(O1)C(C(C(C(COC(C=Cc(c2)ccc(O)c2O)=O)1)O)O)O)O)=O
M END
