Mol:FL2FAANP0018
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.3124 -0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3124 -0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4284 -1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4284 -1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1022 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1022 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4091 0.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4091 0.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.2364 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2364 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5219 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5219 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8074 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8074 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0196 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0196 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7411 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7411 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7411 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7411 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0196 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0196 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0196 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0196 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8528 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8528 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4555 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4555 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1698 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1698 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1698 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1698 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4555 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4555 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8528 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8528 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7809 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7809 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.5881 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5881 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7219 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7219 0.9910 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 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 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 16 1 0 0 0 0 | + | 23 16 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 27 1 0 0 0 0 | + | 29 27 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 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 FL2FAANP0018 | + | ID FL2FAANP0018 |
| − | KNApSAcK_ID C00014256 | + | KNApSAcK_ID C00014256 |
| − | NAME 1'''-Hydroxy-2''',3'''-Epoxylupinifolin;5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME 1'''-Hydroxy-2''',3'''-Epoxylupinifolin;5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 349491-03-8 | + | CAS_RN 349491-03-8 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES C(O)(c(c54)c(c(c(O)c4C=CC(O5)(C)C)3)OC(CC3=O)c(c2)ccc(c2)O)C(O1)C1(C)C | + | SMILES C(O)(c(c54)c(c(c(O)c4C=CC(O5)(C)C)3)OC(CC3=O)c(c2)ccc(c2)O)C(O1)C1(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-0.3265 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3124 -0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4284 -1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1022 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4091 0.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4284 -2.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2364 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2364 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7411 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7411 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8528 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4555 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1698 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1698 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4555 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8528 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7809 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3429 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4821 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0696 2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5881 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7219 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 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 7 1 0 0 0 0
2 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 1 1 0 0 0 0
17 18 1 0 0 0 0
11 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 16 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 27 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
28 32 1 0 0 0 0
S SKP 8
ID FL2FAANP0018
KNApSAcK_ID C00014256
NAME 1'''-Hydroxy-2''',3'''-Epoxylupinifolin;5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 349491-03-8
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES C(O)(c(c54)c(c(c(O)c4C=CC(O5)(C)C)3)OC(CC3=O)c(c2)ccc(c2)O)C(O1)C1(C)C
M END
