Mol:FL3FAAGS0040
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.5322 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5322 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8052 0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8052 0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
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| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
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| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 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 |
| − | 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 |
| − | 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0040 | + | ID FL3FAAGS0040 |
| − | KNApSAcK_ID C00004176 | + | KNApSAcK_ID C00004176 |
| − | NAME Apigenin 7-(2''-acetylglucoside) | + | NAME Apigenin 7-(2''-acetylglucoside) |
| − | CAS_RN 75357-75-4 | + | CAS_RN 75357-75-4 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES c(c3)(c(c(cc(OC(O4)C(OC(C)=O)C(O)C(O)C4CO)3)O)1)OC(c(c2)ccc(c2)O)=CC1=O | + | SMILES c(c3)(c(c(cc(OC(O4)C(OC(C)=O)C(O)C(O)C4CO)3)O)1)OC(c(c2)ccc(c2)O)=CC1=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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.2491 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2491 -0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3072 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 -0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3072 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 -0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 -1.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0992 0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6662 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6662 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0992 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8052 0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2330 1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3072 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3446 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9099 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2840 0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5975 0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1189 0.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7583 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2330 0.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5876 -0.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9254 -0.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1482 1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
12 13 2 0 0 0 0
13 14 1 0 0 0 0
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
15 19 1 0 0 0 0
20 3 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
26 30 1 0 0 0 0
30 31 1 0 0 0 0
24 18 1 0 0 0 0
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL3FAAGS0040
KNApSAcK_ID C00004176
NAME Apigenin 7-(2''-acetylglucoside)
CAS_RN 75357-75-4
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES c(c3)(c(c(cc(OC(O4)C(OC(C)=O)C(O)C(O)C4CO)3)O)1)OC(c(c2)ccc(c2)O)=CC1=O
M END
