Mol:FL5FF9NS0013
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 |
| − | -1.1554 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1554 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1554 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1554 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5991 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5991 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0428 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0428 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0428 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0428 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5991 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5991 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5135 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5135 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0698 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0698 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0698 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0698 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5135 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5135 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5135 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5135 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6259 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6259 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1929 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1929 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7599 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7599 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7599 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7599 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1929 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1929 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6259 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6259 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6259 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6259 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5991 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5991 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5991 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5991 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0674 1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0674 1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 1.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 1.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5861 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5861 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0419 1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0419 1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0419 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0419 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8590 -0.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8590 -0.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8438 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8438 0.1518 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 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 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 SVB 1 28 -1.5126 0.4728 | + | M SVB 1 28 -1.5126 0.4728 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF9NS0013 | + | ID FL5FF9NS0013 |
| − | KNApSAcK_ID C00004917 | + | KNApSAcK_ID C00004917 |
| − | NAME 8-Hydroxygalangin 7-methyl ether 8-butyrate | + | NAME 8-Hydroxygalangin 7-methyl ether 8-butyrate |
| − | CAS_RN 69306-82-7 | + | CAS_RN 69306-82-7 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)cccc1)OC(=O)CCC | + | SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)cccc1)OC(=O)CCC |
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
-1.1554 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1554 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0428 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0428 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0698 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0698 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6259 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1929 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1929 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6259 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6259 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0674 1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 1.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5861 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8590 -0.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8438 0.1518 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 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
1 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 SVB 1 28 -1.5126 0.4728
S SKP 8
ID FL5FF9NS0013
KNApSAcK_ID C00004917
NAME 8-Hydroxygalangin 7-methyl ether 8-butyrate
CAS_RN 69306-82-7
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)cccc1)OC(=O)CCC
M END
