Mol:FL3F99NS0008
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 |
| − | -1.8158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7032 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7032 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7032 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7032 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1469 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1469 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1469 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1469 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1469 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1469 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9655 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9655 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5324 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5324 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0994 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0994 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0994 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0994 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5324 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5324 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9655 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9655 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5303 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5303 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5303 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5303 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5222 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5222 -0.5952 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 -2.5303 -0.7222 | + | M SVB 3 24 -2.5303 -0.7222 |
| − | 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 1.8158 1.7079 | + | M SVB 2 22 1.8158 1.7079 |
| − | 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 -1.696 -1.2954 | + | M SVB 1 20 -1.696 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F99NS0008 | + | ID FL3F99NS0008 |
| − | KNApSAcK_ID C00003814 | + | KNApSAcK_ID C00003814 |
| − | NAME 5,6,3'-Trimethoxyflavone | + | NAME 5,6,3'-Trimethoxyflavone |
| − | CAS_RN 17182-55-7 | + | CAS_RN 17182-55-7 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc2)=CC1=O | + | SMILES c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc2)=CC1=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/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5303 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5222 -0.5952 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
16 20 1 0 0 0 0
20 21 1 0 0 0 0
2 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 -2.5303 -0.7222
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 1.8158 1.7079
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 -1.696 -1.2954
S SKP 8
ID FL3F99NS0008
KNApSAcK_ID C00003814
NAME 5,6,3'-Trimethoxyflavone
CAS_RN 17182-55-7
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc2)=CC1=O
M END
