Mol:FL3FAEGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.4783 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4783 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9293 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9293 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3804 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3804 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.1932 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1932 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6529 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6529 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6529 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6529 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.8357 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8357 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5776 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5776 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.4122 -0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4122 -0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1239 -1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1239 -1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1521 -1.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1521 -1.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4908 0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4908 0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1078 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1078 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7027 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7027 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3325 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3325 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9576 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9576 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3325 1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3325 1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 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 19 1 0 0 0 0 | + | 24 19 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 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 32 37 2 0 0 0 0 | + | 32 37 2 0 0 0 0 |
| − | 15 38 1 0 0 0 0 | + | 15 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 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 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 41 | + | M SBL 1 1 41 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 41 -7.5032 4.5332 | + | M SBV 1 41 -7.5032 4.5332 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAEGS0008 | + | ID FL3FAEGS0008 |
| − | KNApSAcK_ID C00004364 | + | KNApSAcK_ID C00004364 |
| − | NAME Luteolin 4'-methyl ether 7-(6''-malonylglucoside) | + | NAME Luteolin 4'-methyl ether 7-(6''-malonylglucoside) |
| − | CAS_RN 98767-39-6 | + | CAS_RN 98767-39-6 |
| − | FORMULA C25H24O14 | + | FORMULA C25H24O14 |
| − | EXACTMASS 548.116605476 | + | EXACTMASS 548.116605476 |
| − | AVERAGEMASS 548.44966 | + | AVERAGEMASS 548.44966 |
| − | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)OC)O)=CC1=O | + | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)OC)O)=CC1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
0.4783 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4783 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3804 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3804 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 -0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -0.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7334 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1932 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6529 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6529 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1932 0.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7334 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1932 1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0282 -0.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 -1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8357 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5776 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8611 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3817 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4122 -0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1239 -1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1521 -1.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 -0.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 0.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1078 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7027 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3325 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9576 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3325 1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1078 1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2431 0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9576 0.4261 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
16 18 1 0 0 0 0
1 19 1 0 0 0 0
3 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
26 30 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
32 37 2 0 0 0 0
15 38 1 0 0 0 0
38 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 41
M SMT 1 OCH3
M SBV 1 41 -7.5032 4.5332
S SKP 8
ID FL3FAEGS0008
KNApSAcK_ID C00004364
NAME Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
CAS_RN 98767-39-6
FORMULA C25H24O14
EXACTMASS 548.116605476
AVERAGEMASS 548.44966
SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)OC)O)=CC1=O
M END
