Mol:FL3FAAGS0056
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.4776 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4776 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4776 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4776 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3797 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3797 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3797 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3797 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8308 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8308 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2818 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2818 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2818 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2818 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8308 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8308 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8308 -1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8308 -1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7327 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7327 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1925 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1925 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6522 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6522 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6522 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6522 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1925 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1925 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7327 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7327 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0267 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0267 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1118 0.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1118 0.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -1.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -1.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4651 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4651 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9495 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9495 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2070 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2070 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4906 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4906 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0112 -0.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0112 -0.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7696 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7696 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0416 -0.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0416 -0.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7533 -0.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7533 -0.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1203 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1203 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1203 0.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1203 0.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.6195 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6195 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1118 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1118 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0056 | + | ID FL3FAAGS0056 |
| − | KNApSAcK_ID C00004209 | + | KNApSAcK_ID C00004209 |
| − | NAME Apigenin 7-(6''-crotonylglucoside) | + | NAME Apigenin 7-(6''-crotonylglucoside) |
| − | CAS_RN 123656-62-2 | + | CAS_RN 123656-62-2 |
| − | FORMULA C25H24O11 | + | FORMULA C25H24O11 |
| − | EXACTMASS 500.13186161 | + | EXACTMASS 500.13186161 |
| − | AVERAGEMASS 500.45146 | + | AVERAGEMASS 500.45146 |
| − | SMILES OC(C4O)C(COC(=O)C=CC)OC(C4O)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3)O)c(O)1 | + | SMILES OC(C4O)C(COC(=O)C=CC)OC(C4O)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3)O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
0.4776 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7327 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1925 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6522 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6522 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1925 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7327 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1118 0.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -1.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4651 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9495 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2070 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4906 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0112 -0.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7696 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0416 -0.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7533 -0.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1205 0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6195 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1118 0.7105 0.0000 C 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
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
24 18 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
S SKP 8
ID FL3FAAGS0056
KNApSAcK_ID C00004209
NAME Apigenin 7-(6''-crotonylglucoside)
CAS_RN 123656-62-2
FORMULA C25H24O11
EXACTMASS 500.13186161
AVERAGEMASS 500.45146
SMILES OC(C4O)C(COC(=O)C=CC)OC(C4O)Oc(c1)cc(O2)c(C(=O)C=C2c(c3)ccc(c3)O)c(O)1
M END
