Mol:FL3F98NS0010
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.5227 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5227 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8911 -0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8911 -0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6197 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6197 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9797 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9797 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6113 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6113 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8828 -0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8828 -0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7083 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7083 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0684 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0684 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3001 -1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3001 -1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0286 -0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0286 -0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9955 -2.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9955 -2.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9398 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9398 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2165 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2165 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8686 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8686 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2441 -1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2441 -1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9675 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9675 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3153 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3153 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7695 -1.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7695 -1.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1181 -2.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1181 -2.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3317 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3317 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1180 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1180 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6877 -2.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6877 -2.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5069 -3.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5069 -3.2544 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 |
| − | 13 18 1 0 0 0 0 | + | 13 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 |
| − | 14 22 1 0 0 0 0 | + | 14 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 2.0624 0.1955 | + | M SVB 3 24 2.0624 0.1955 |
| − | 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 -2.7769 -0.4703 | + | M SVB 2 22 -2.7769 -0.4703 |
| − | 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 0.8548 -0.0893 | + | M SVB 1 20 0.8548 -0.0893 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F98NS0010 | + | ID FL3F98NS0010 |
| − | KNApSAcK_ID C00003824 | + | KNApSAcK_ID C00003824 |
| − | NAME 6,2',3'-Trimethoxyflavone | + | NAME 6,2',3'-Trimethoxyflavone |
| − | CAS_RN 79786-41-7 | + | CAS_RN 79786-41-7 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES C(c12)(=O)C=C(c(c(OC)3)cccc3OC)Oc1ccc(OC)c2 | + | SMILES C(c12)(=O)C=C(c(c(OC)3)cccc3OC)Oc1ccc(OC)c2 |
M END | M END | ||
| − | |||
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
-1.5227 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8911 -0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6113 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8828 -0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7083 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0684 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3001 -1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0286 -0.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 -2.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9398 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2165 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8686 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 -1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3153 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7695 -1.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1181 -2.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3317 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 -2.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5069 -3.2544 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
13 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
14 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 2.0624 0.1955
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 -2.7769 -0.4703
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 0.8548 -0.0893
S SKP 8
ID FL3F98NS0010
KNApSAcK_ID C00003824
NAME 6,2',3'-Trimethoxyflavone
CAS_RN 79786-41-7
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES C(c12)(=O)C=C(c(c(OC)3)cccc3OC)Oc1ccc(OC)c2
M END
