Mol:FL3FDHNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0021 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0021 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0021 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0021 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4458 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4458 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8895 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8895 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8895 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8895 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4458 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4458 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3332 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3332 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2231 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2231 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2231 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2231 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3332 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3332 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3332 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3332 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7792 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7792 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3462 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3462 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9131 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9131 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9131 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9131 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3462 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3462 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7792 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7792 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5198 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5198 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8619 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8619 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4666 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4666 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6296 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6296 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3440 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3440 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8822 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8822 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1678 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1678 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0650 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0650 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8619 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8619 0.4124 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -6.3346 3.3336 | + | M SBV 1 24 -6.3346 3.3336 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 26 -7.0544 2.5969 | + | M SBV 2 26 -7.0544 2.5969 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 ^OCH3 | + | M SMT 3 ^OCH3 |
| − | M SBV 3 28 -6.6809 3.1276 | + | M SBV 3 28 -6.6809 3.1276 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FDHNS0001 | + | ID FL3FDHNS0001 |
| − | KNApSAcK_ID C00004002 | + | KNApSAcK_ID C00004002 |
| − | NAME 5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone | + | NAME 5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone |
| − | CAS_RN 89029-11-8 | + | CAS_RN 89029-11-8 |
| − | FORMULA C19H16O7 | + | FORMULA C19H16O7 |
| − | EXACTMASS 356.089602866 | + | EXACTMASS 356.089602866 |
| − | AVERAGEMASS 356.32614 | + | AVERAGEMASS 356.32614 |
| − | SMILES O(C(c(c4)cc(c(c(OC)4)3)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC | + | SMILES O(C(c(c4)cc(c(c(OC)4)3)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.0021 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0021 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5198 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8822 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1678 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0650 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8619 0.4124 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -6.3346 3.3336
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SBV 2 26 -7.0544 2.5969
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 ^OCH3
M SBV 3 28 -6.6809 3.1276
S SKP 8
ID FL3FDHNS0001
KNApSAcK_ID C00004002
NAME 5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
CAS_RN 89029-11-8
FORMULA C19H16O7
EXACTMASS 356.089602866
AVERAGEMASS 356.32614
SMILES O(C(c(c4)cc(c(c(OC)4)3)OCO3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC
M END
