Mol:FL2FAENI0002
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 |
| − | -2.6416 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6416 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5999 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5999 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5999 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5999 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6416 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6416 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5581 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5581 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5581 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5581 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0377 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0377 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4966 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4966 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0310 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0310 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0310 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0310 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4966 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4966 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0377 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0377 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1625 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1625 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5645 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5645 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0979 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0979 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6302 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6302 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1625 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1625 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6302 -0.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6302 -0.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4966 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4966 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5645 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5645 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2789 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2789 0.6435 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 16 25 1 0 0 0 0 | + | 16 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -5.3066 4.5085 | + | M SBV 1 28 -5.3066 4.5085 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAENI0002 | + | ID FL2FAENI0002 |
| − | KNApSAcK_ID C00008456 | + | KNApSAcK_ID C00008456 |
| − | NAME 4'-Methylsigmoidin B | + | NAME 4'-Methylsigmoidin B |
| − | CAS_RN 114340-00-0 | + | CAS_RN 114340-00-0 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES COc(c(O)1)c(cc(C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c1)CC=C(C)C | + | SMILES COc(c(O)1)c(cc(C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c1)CC=C(C)C |
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 29 0 0 0 0 0 0 0 0999 V2000
-2.6416 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6416 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0310 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0310 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0979 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6302 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1625 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6302 -0.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2789 0.6435 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
6 18 1 0 0 0 0
2 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -5.3066 4.5085
S SKP 8
ID FL2FAENI0002
KNApSAcK_ID C00008456
NAME 4'-Methylsigmoidin B
CAS_RN 114340-00-0
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES COc(c(O)1)c(cc(C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c1)CC=C(C)C
M END
