Mol:FL63BANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5458 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5458 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5458 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5458 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0073 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0073 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4688 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4688 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4688 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4688 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0073 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0073 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0698 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0698 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6083 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6083 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6083 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6083 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0698 0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0698 0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0840 0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0840 0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0878 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0878 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1773 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1773 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1773 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1773 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0878 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0878 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0302 -1.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0302 -1.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7214 1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7214 1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0073 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0073 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5455 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5455 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0786 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0786 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6178 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6178 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7214 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7214 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4526 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4526 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7382 -1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7382 -1.3753 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 |
| − | 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 11 1 0 0 0 0 | + | 22 11 1 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 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -6.7720 5.7037 | + | M SBV 1 28 -6.7720 5.7037 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63BANP0001 | + | ID FL63BANP0001 |
| − | KNApSAcK_ID C00008908 | + | KNApSAcK_ID C00008908 |
| − | NAME 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan | + | NAME 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c3)c(c2c(C=4)c(OC(C4)(C)C)3)CC(C(O2)c(c1)ccc(O)c1)O | + | SMILES COc(c3)c(c2c(C=4)c(OC(C4)(C)C)3)CC(C(O2)c(c1)ccc(O)c1)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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.5458 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0073 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4688 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4688 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0073 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0698 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6083 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6083 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0698 0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0840 0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0878 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1773 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1773 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0878 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0302 -1.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7214 1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0073 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5455 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0786 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6178 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7214 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4526 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -1.3753 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
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
1 11 1 0 0 0 0
9 12 1 6 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 1 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 11 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -6.7720 5.7037
S SKP 8
ID FL63BANP0001
KNApSAcK_ID C00008908
NAME 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
CAS_RN -
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(c2c(C=4)c(OC(C4)(C)C)3)CC(C(O2)c(c1)ccc(O)c1)O
M END
