Mol:FL5FF9NS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6990 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6990 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6990 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6990 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1427 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1427 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5864 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5864 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5864 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5864 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1427 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1427 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0300 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0300 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5263 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5263 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5263 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5263 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0300 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0300 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0300 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0300 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0823 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0823 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6493 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6493 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2163 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2163 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2163 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2163 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6493 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6493 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0823 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0823 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0823 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0823 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1427 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1427 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1427 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1427 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6721 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6721 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6721 1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6721 1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1027 1.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1027 1.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0562 0.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0562 0.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5562 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5562 1.3388 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.0562 0.4728 | + | M SVB 1 26 -2.0562 0.4728 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF9NS0012 | + | ID FL5FF9NS0012 |
| − | KNApSAcK_ID C00004916 | + | KNApSAcK_ID C00004916 |
| − | NAME 8-Hydroxygalangin 7-methyl ether 8-acetate | + | NAME 8-Hydroxygalangin 7-methyl ether 8-acetate |
| − | CAS_RN 69312-51-2 | + | CAS_RN 69312-51-2 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)cccc1 | + | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6990 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5864 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5864 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5263 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5263 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0823 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6493 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2163 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2163 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6493 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0823 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0823 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6721 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6721 1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1027 1.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0562 0.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5562 1.3388 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -2.0562 0.4728
S SKP 8
ID FL5FF9NS0012
KNApSAcK_ID C00004916
NAME 8-Hydroxygalangin 7-methyl ether 8-acetate
CAS_RN 69312-51-2
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)cccc1
M END
