Mol:FL1BAAGS0002
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 |
| − | -1.4028 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4028 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4028 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4028 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6884 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6884 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6884 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6884 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0261 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0261 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0261 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0261 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7403 0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7403 0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4567 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4567 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4558 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4558 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2321 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2321 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9962 0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9962 0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0072 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0072 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7273 -0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7273 -0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4360 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4360 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4246 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4246 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7046 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7046 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0856 -0.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0856 -0.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1272 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1272 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6024 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6024 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1898 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1898 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3914 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3914 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5979 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5979 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0105 0.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0105 0.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8089 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8089 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9659 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9659 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4457 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4457 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0856 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0856 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6384 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6384 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5629 -0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5629 -0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9357 -0.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9357 -0.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6884 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6884 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0294 0.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0294 0.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 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 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 9 30 2 0 0 0 0 | + | 9 30 2 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 22 1 0 0 0 0 | + | 32 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1BAAGS0002 | + | ID FL1BAAGS0002 |
| − | KNApSAcK_ID C00014670 | + | KNApSAcK_ID C00014670 |
| − | NAME 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside;Maesopsin 6-beta-D-glucopyranoside | + | NAME 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside;Maesopsin 6-beta-D-glucopyranoside |
| − | CAS_RN 196102-61-1 | + | CAS_RN 196102-61-1 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES OC(O1)(Cc(c4)ccc(O)c4)C(c(c(O)3)c1cc(c3)OC(O2)C(O)C(O)C(O)C2CO)=O | + | SMILES OC(O1)(Cc(c4)ccc(O)c4)C(c(c(O)3)c1cc(c3)OC(O2)C(O)C(O)C(O)C2CO)=O |
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
-1.4028 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4028 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0261 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0261 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7403 0.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4567 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4558 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2321 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9962 0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0072 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7273 -0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4246 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7046 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0856 -0.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1272 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6024 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1898 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3914 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5979 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0105 0.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8089 0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9659 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4457 1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0856 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6384 0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5629 -0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9357 -0.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0294 0.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
14 17 1 0 0 0 0
8 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
9 30 2 0 0 0 0
3 31 1 0 0 0 0
1 32 1 0 0 0 0
32 22 1 0 0 0 0
S SKP 8
ID FL1BAAGS0002
KNApSAcK_ID C00014670
NAME 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside;Maesopsin 6-beta-D-glucopyranoside
CAS_RN 196102-61-1
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES OC(O1)(Cc(c4)ccc(O)c4)C(c(c(O)3)c1cc(c3)OC(O2)C(O)C(O)C(O)C2CO)=O
M END
