Mol:FL3FABCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1364 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1364 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1364 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1364 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5801 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5801 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0238 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0238 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0238 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0238 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5801 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5801 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5801 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5801 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7687 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7687 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3549 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3549 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9411 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9411 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9411 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9411 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3549 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3549 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7687 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7687 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6897 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.6897 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.1741 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.1741 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.6585 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6585 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9572 -1.1245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9572 -1.1245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4522 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4522 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0091 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0091 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.2414 -1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2414 -1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8165 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8165 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1044 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1044 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6925 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6925 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2114 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2114 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1664 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1664 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5270 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5270 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2414 1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2414 1.1398 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 32 -3.2114 -0.0439 | + | M SVB 2 32 -3.2114 -0.0439 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 3.527 1.5523 | + | M SVB 1 34 3.527 1.5523 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FABCS0001 | + | ID FL3FABCS0001 |
| − | KNApSAcK_ID C00006127 | + | KNApSAcK_ID C00006127 |
| − | NAME Isocytisoside;Acacetin-6-C-glucoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isocytisoside;Acacetin-6-C-glucoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 4328-19-2 | + | CAS_RN 4328-19-2 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES c(c1C(O2)=CC(=O)c(c3O)c2cc(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)3)O)cc(OC)cc1 | + | SMILES c(c1C(O2)=CC(=O)c(c3O)c2cc(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)3)O)cc(OC)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.1364 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1364 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7687 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3549 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9411 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9411 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3549 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7687 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6897 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1741 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6585 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9572 -1.1245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4522 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0091 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2414 -1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8165 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1044 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6925 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1664 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2414 1.1398 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 22 1 0 0 0 0
1 28 1 0 0 0 0
24 29 1 0 0 0 0
29 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 CH2OH
M SVB 2 32 -3.2114 -0.0439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 3.527 1.5523
S SKP 8
ID FL3FABCS0001
KNApSAcK_ID C00006127
NAME Isocytisoside;Acacetin-6-C-glucoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 4328-19-2
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c1C(O2)=CC(=O)c(c3O)c2cc(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)3)O)cc(OC)cc1
M END
