Mol:FL6DBANP0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6372 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6372 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6372 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6372 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5246 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5246 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5246 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5246 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0317 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0317 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5880 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5880 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5880 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5880 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0317 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0317 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1441 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1441 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7110 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7110 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2780 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2780 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2780 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2780 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7110 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7110 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1441 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1441 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0317 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0317 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0519 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0519 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6372 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6372 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1935 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1935 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1822 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1822 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6086 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6086 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8448 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8448 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8448 1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8448 1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4891 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4891 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7746 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7746 -1.4483 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 1 0 0 0 | + | 7 17 1 1 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 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 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 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 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -7.3625 3.8259 | + | M SBV 1 29 -7.3625 3.8259 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DBANP0001 | + | ID FL6DBANP0001 |
| − | KNApSAcK_ID C00009028 | + | KNApSAcK_ID C00009028 |
| − | NAME 4beta-Hydroxyobovatachromene | + | NAME 4beta-Hydroxyobovatachromene |
| − | CAS_RN 76265-10-6 | + | CAS_RN 76265-10-6 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c4)c(ccc(O)4)C(O3)C(C(c(c31)c(cc(O2)c1C=CC(C)(C)2)OC)O)O | + | SMILES c(c4)c(ccc(O)4)C(O3)C(C(c(c31)c(cc(O2)c1C=CC(C)(C)2)OC)O)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6372 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6372 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7110 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7110 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0519 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6372 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1822 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4891 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7746 -1.4483 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
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 1 0 0 0
8 18 1 1 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
3 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 29
M SMT 1 OCH3
M SBV 1 29 -7.3625 3.8259
S SKP 8
ID FL6DBANP0001
KNApSAcK_ID C00009028
NAME 4beta-Hydroxyobovatachromene
CAS_RN 76265-10-6
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c4)c(ccc(O)4)C(O3)C(C(c(c31)c(cc(O2)c1C=CC(C)(C)2)OC)O)O
M END
