Mol:FL3F1CGS0004
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 |
| − | -0.3682 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3682 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3682 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3682 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1881 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1881 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7444 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7444 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7444 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7444 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3007 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3007 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8570 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8570 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8570 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8570 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3007 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3007 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3007 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3007 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4131 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4131 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9801 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9801 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5471 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5471 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5471 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5471 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9801 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9801 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4131 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4131 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9243 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9243 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4001 -0.1662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4001 -0.1662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.8844 -0.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8844 -0.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1419 -0.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1419 -0.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4255 -0.5503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4255 -0.5503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9461 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9461 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5957 -0.3724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.5957 -0.3724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1139 -0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1139 -0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6883 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6883 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7165 -1.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7165 -1.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5471 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5471 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6962 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6962 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6145 0.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6145 0.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2635 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2635 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7049 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7049 2.5691 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 |
| − | 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 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 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 -2.6962 0.4853 | + | M SVB 2 32 -2.6962 0.4853 |
| − | 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 3.2635 1.6718 | + | M SVB 1 34 3.2635 1.6718 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1CGS0004 | + | ID FL3F1CGS0004 |
| − | KNApSAcK_ID C00004137 | + | KNApSAcK_ID C00004137 |
| − | NAME 7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside | + | NAME 7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside |
| − | CAS_RN 33275-43-3 | + | CAS_RN 33275-43-3 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES c(c1O)(cc(C(O2)=CC(=O)c(c3)c2cc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)c3)cc1)OC | + | SMILES c(c1O)(cc(C(O2)=CC(=O)c(c3)c2cc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)c3)cc1)OC |
M END | M END | ||
| − | |||
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
-0.3682 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3682 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1881 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7444 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7444 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3007 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8570 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8570 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3007 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3007 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4131 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9801 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9801 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4131 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9243 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4001 -0.1662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8844 -0.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1419 -0.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4255 -0.5503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9461 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5957 -0.3724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1139 -0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6883 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7165 -1.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5471 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6962 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6145 0.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2635 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7049 2.5691 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
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
22 18 1 0 0 0 0
15 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 -2.6962 0.4853
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 3.2635 1.6718
S SKP 8
ID FL3F1CGS0004
KNApSAcK_ID C00004137
NAME 7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside
CAS_RN 33275-43-3
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c1O)(cc(C(O2)=CC(=O)c(c3)c2cc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)c3)cc1)OC
M END
