Mol:FL3FALNP0017
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 |
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| − | -1.7372 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9786 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9786 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
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| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
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| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
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| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0017 | + | ID FL3FALNP0017 |
| − | KNApSAcK_ID C00013459 | + | KNApSAcK_ID C00013459 |
| − | NAME Morusignin L;8-(2,4-Dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME Morusignin L;8-(2,4-Dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 149733-95-9 | + | CAS_RN 149733-95-9 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES c(c43)(OC(C=C4)(C)C)cc(O1)c(c3O)C(=O)C(=C1c(c2O)ccc(O)c2)CCC(C)(C)O | + | SMILES c(c43)(OC(C=C4)(C)C)cc(O1)c(c3O)C(=O)C(=C1c(c2O)ccc(O)c2)CCC(C)(C)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
-0.3082 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3621 -1.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4516 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 1.6002 0.0000 C 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
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8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
12 19 1 0 0 0 0
10 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
17 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 16 1 0 0 0 0
28 31 1 0 0 0 0
28 32 1 0 0 0 0
S SKP 8
ID FL3FALNP0017
KNApSAcK_ID C00013459
NAME Morusignin L;8-(2,4-Dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 149733-95-9
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES c(c43)(OC(C=C4)(C)C)cc(O1)c(c3O)C(=O)C(=C1c(c2O)ccc(O)c2)CCC(C)(C)O
M END
