Mol:FLIG1LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3574 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3574 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.7519 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 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 8 16 2 0 0 0 0 | + | 8 16 2 0 0 0 0 |
| − | 16 9 1 0 0 0 0 | + | 16 9 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNS0001 | + | ID FLIG1LNS0001 |
| − | KNApSAcK_ID C00010063 | + | KNApSAcK_ID C00010063 |
| − | NAME Lupinalbin A | + | NAME Lupinalbin A |
| − | CAS_RN 98094-87-2 | + | CAS_RN 98094-87-2 |
| − | FORMULA C15H8O6 | + | FORMULA C15H8O6 |
| − | EXACTMASS 284.032087988 | + | EXACTMASS 284.032087988 |
| − | AVERAGEMASS 284.22042 | + | AVERAGEMASS 284.22042 |
| − | SMILES Oc(c4)cc(o1)c(c4)c(C(=O)2)c1Oc(c3)c(c(O)cc(O)3)2 | + | SMILES Oc(c4)cc(o1)c(c4)c(C(=O)2)c1Oc(c3)c(c(O)cc(O)3)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3574 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.7519 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
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
8 16 2 0 0 0 0
16 9 1 0 0 0 0
13 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 15 1 0 0 0 0
7 21 2 0 0 0 0
S SKP 8
ID FLIG1LNS0001
KNApSAcK_ID C00010063
NAME Lupinalbin A
CAS_RN 98094-87-2
FORMULA C15H8O6
EXACTMASS 284.032087988
AVERAGEMASS 284.22042
SMILES Oc(c4)cc(o1)c(c4)c(C(=O)2)c1Oc(c3)c(c(O)cc(O)3)2
M END
