Mol:FL2FG8NS0001
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7099 1.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7099 1.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1935 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1935 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1680 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1680 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0113 1.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0113 1.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7524 2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7524 2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4288 -0.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4288 -0.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2041 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2041 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3362 1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3362 1.6234 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -1.8363 0.7573 | + | M SVB 4 28 -1.8363 0.7573 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 1.1556 0.0087 | + | M SVB 3 26 1.1556 0.0087 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -0.291 0.673 | + | M SVB 2 24 -0.291 0.673 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.1935 -0.2983 | + | M SVB 1 22 -2.1935 -0.2983 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FG8NS0001 | + | ID FL2FG8NS0001 |
| − | KNApSAcK_ID C00008489 | + | KNApSAcK_ID C00008489 |
| − | NAME 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone | + | NAME 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone |
| − | CAS_RN 158305-76-1 | + | CAS_RN 158305-76-1 |
| − | FORMULA C19H20O8 | + | FORMULA C19H20O8 |
| − | EXACTMASS 376.11581761599996 | + | EXACTMASS 376.11581761599996 |
| − | AVERAGEMASS 376.3573 | + | AVERAGEMASS 376.3573 |
| − | SMILES c(c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O | + | SMILES c(c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7099 1.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1680 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0113 1.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7524 2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4288 -0.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2041 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3362 1.6234 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
17 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -1.8363 0.7573
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.1556 0.0087
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.291 0.673
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.1935 -0.2983
S SKP 8
ID FL2FG8NS0001
KNApSAcK_ID C00008489
NAME 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
CAS_RN 158305-76-1
FORMULA C19H20O8
EXACTMASS 376.11581761599996
AVERAGEMASS 376.3573
SMILES c(c(C(O2)CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O
M END
