Mol:FL3FE9NS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9576 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4575 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4575 1.6016 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -1.9576 0.7355 | + | M SVB 3 24 -1.9576 0.7355 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.3149 -0.4342 | + | M SVB 2 22 -2.3149 -0.4342 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.4805 -1.0073 | + | M SVB 1 20 -1.4805 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE9NS0006 | + | ID FL3FE9NS0006 |
| − | KNApSAcK_ID C00003808 | + | KNApSAcK_ID C00003808 |
| − | NAME Baicalein 5,6,7-trimethyl ether | + | NAME Baicalein 5,6,7-trimethyl ether |
| − | CAS_RN 973-67-1 | + | CAS_RN 973-67-1 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES c(c1OC)c(O2)c(C(=O)C=C2c(c3)cccc3)c(c1OC)OC | + | SMILES c(c1OC)c(O2)c(C(=O)C=C2c(c3)cccc3)c(c1OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4575 1.6016 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -1.9576 0.7355
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.3149 -0.4342
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.4805 -1.0073
S SKP 8
ID FL3FE9NS0006
KNApSAcK_ID C00003808
NAME Baicalein 5,6,7-trimethyl ether
CAS_RN 973-67-1
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(c1OC)c(O2)c(C(=O)C=C2c(c3)cccc3)c(c1OC)OC
M END
