Mol:FLIBALNP0006
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 |
| − | -2.0500 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0500 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0500 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0500 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4937 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4937 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9374 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9374 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9374 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9374 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4937 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4937 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3811 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3811 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1752 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1752 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1752 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1752 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3811 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3811 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7313 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7313 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7313 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7313 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3261 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3261 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9209 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9209 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9209 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9209 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3261 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3261 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3811 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3811 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4937 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4937 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5156 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5156 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6063 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6063 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1626 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1626 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1626 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1626 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6063 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6063 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1626 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1626 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7035 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7035 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5151 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5151 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5151 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5151 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1093 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1093 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7035 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7035 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1093 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1093 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0168 -1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0168 -1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7313 -1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7313 -1.5439 0.0000 C 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 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 2 1 0 0 0 0 | + | 23 2 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 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 34 -8.4116 2.8700 | + | M SBV 1 34 -8.4116 2.8700 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNP0006 | + | ID FLIBALNP0006 |
| − | KNApSAcK_ID C00009563 | + | KNApSAcK_ID C00009563 |
| − | NAME 2'-O-Methylcajanone | + | NAME 2'-O-Methylcajanone |
| − | CAS_RN 71765-79-2 | + | CAS_RN 71765-79-2 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES CC(C)=CCc(c(O)4)cc(c(c4)OC)C(C3)C(c(c2O3)c(O)c(C=1)c(c2)OC(C)(C)C1)=O | + | SMILES CC(C)=CCc(c(O)4)cc(c(c4)OC)C(C3)C(c(c2O3)c(O)c(C=1)c(c2)OC(C)(C)C1)=O |
M END | M END | ||
| − | |||
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
-2.0500 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4937 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9374 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9374 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4937 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3811 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1752 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1752 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3811 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3261 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9209 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9209 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3261 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3811 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4937 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5156 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6063 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1626 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1626 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6063 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1626 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7035 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1093 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7035 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1093 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0168 -1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 -1.5439 0.0000 C 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
8 9 1 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
19 14 1 0 0 0 0
20 1 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 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^OCH3
M SBV 1 34 -8.4116 2.8700
S SKP 8
ID FLIBALNP0006
KNApSAcK_ID C00009563
NAME 2'-O-Methylcajanone
CAS_RN 71765-79-2
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES CC(C)=CCc(c(O)4)cc(c(c4)OC)C(C3)C(c(c2O3)c(O)c(C=1)c(c2)OC(C)(C)C1)=O
M END
