Mol:FL3FAAGS0048
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1147 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1147 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1147 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1147 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6109 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6109 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6109 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6109 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6033 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6033 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0995 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0995 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0995 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0995 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6033 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6033 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6033 -0.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6033 -0.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5956 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5956 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1013 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1013 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6071 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6071 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6071 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6071 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1013 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1013 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5956 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5956 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3814 0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3814 0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1127 1.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1127 1.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6109 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6109 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6650 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6650 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2772 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2772 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7189 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7189 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1066 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1066 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5716 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5716 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1420 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1420 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4574 0.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4574 0.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8817 -0.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8817 -0.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3990 -0.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3990 -0.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3990 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3990 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8306 -1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8306 -1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8075 -1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8075 -1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4303 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4303 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1127 -0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1127 -0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2764 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2764 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5404 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5404 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7435 0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7435 0.8511 0.0000 O 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 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 26 36 1 0 0 0 0 | + | 26 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 39 -6.6891 4.9101 | + | M SBV 1 39 -6.6891 4.9101 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0048 | + | ID FL3FAAGS0048 |
| − | KNApSAcK_ID C00004188 | + | KNApSAcK_ID C00004188 |
| − | NAME Apigenin 7-(2'',3''-diacetylglucoside) | + | NAME Apigenin 7-(2'',3''-diacetylglucoside) |
| − | CAS_RN 84323-20-6 | + | CAS_RN 84323-20-6 |
| − | FORMULA C25H24O12 | + | FORMULA C25H24O12 |
| − | EXACTMASS 516.126776232 | + | EXACTMASS 516.126776232 |
| − | AVERAGEMASS 516.4508599999999 | + | AVERAGEMASS 516.4508599999999 |
| − | SMILES c(C(=O)2)(c(O)4)c(cc(c4)OC(C(OC(C)=O)3)OC(C(O)C(OC(C)=O)3)CO)OC(=C2)c(c1)ccc(c1)O | + | SMILES c(C(=O)2)(c(O)4)c(cc(c4)OC(C(OC(C)=O)3)OC(C(O)C(OC(C)=O)3)CO)OC(=C2)c(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
0.1147 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1147 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6033 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6033 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6033 -0.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5956 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1013 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6071 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6071 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1013 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5956 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1127 1.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6650 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2772 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1066 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4574 0.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -0.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3990 -0.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3990 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8306 -1.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 -1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4303 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1127 -0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2764 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7435 0.8511 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
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
18 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
28 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
26 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 ^CH2OH
M SBV 1 39 -6.6891 4.9101
S SKP 8
ID FL3FAAGS0048
KNApSAcK_ID C00004188
NAME Apigenin 7-(2'',3''-diacetylglucoside)
CAS_RN 84323-20-6
FORMULA C25H24O12
EXACTMASS 516.126776232
AVERAGEMASS 516.4508599999999
SMILES c(C(=O)2)(c(O)4)c(cc(c4)OC(C(OC(C)=O)3)OC(C(O)C(OC(C)=O)3)CO)OC(=C2)c(c1)ccc(c1)O
M END
