Mol:FLIAALNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1497 -0.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1497 -0.1893 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 12 27 1 0 0 0 0 | + | 12 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNF0001 | + | ID FLIAALNF0001 |
| − | KNApSAcK_ID C00009833 | + | KNApSAcK_ID C00009833 |
| − | NAME Lupinisoflavone D | + | NAME Lupinisoflavone D |
| − | CAS_RN 93373-46-7 | + | CAS_RN 93373-46-7 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c(O)2)ccc(c21)OC(C(C)(C)O)C1 | + | SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c(O)2)ccc(c21)OC(C(C)(C)O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 -0.1893 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
3 26 1 0 0 0 0
12 27 1 0 0 0 0
S SKP 8
ID FLIAALNF0001
KNApSAcK_ID C00009833
NAME Lupinisoflavone D
CAS_RN 93373-46-7
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c(O)2)ccc(c21)OC(C(C)(C)O)C1
M END
