Mol:FL5FGGNS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9671 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9671 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9671 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9671 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4108 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4108 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8545 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8545 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8545 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8545 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4108 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4108 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2982 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2982 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2581 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2581 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2581 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2581 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2982 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2982 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2982 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2982 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8142 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8142 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3812 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3812 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9481 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9481 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9481 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9481 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3812 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3812 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8142 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8142 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5780 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5780 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9556 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9556 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5780 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5780 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5708 -0.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5708 -0.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9556 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9556 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5708 1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5708 1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8472 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8472 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1328 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1328 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1241 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1241 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9901 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9901 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1328 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1328 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6963 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6963 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1220 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1220 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8972 2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8972 2.0013 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 |
| − | 1 18 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 30 31 | + | M SAL 4 2 30 31 |
| − | M SBL 4 1 34 | + | M SBL 4 1 34 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 34 1.6646 1.7079 | + | M SVB 4 34 1.6646 1.7079 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 32 -1.1328 0.7229 | + | M SVB 3 32 -1.1328 0.7229 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 0.4684 -0.9987 | + | M SVB 2 30 0.4684 -0.9987 |
| − | 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 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.8472 -1.2954 | + | M SVB 1 28 -1.8472 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGGNS0017 | + | ID FL5FGGNS0017 |
| − | KNApSAcK_ID C00005071 | + | KNApSAcK_ID C00005071 |
| − | NAME 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone | + | NAME 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| − | CAS_RN 82668-93-7 | + | CAS_RN 82668-93-7 |
| − | FORMULA C21H18O10 | + | FORMULA C21H18O10 |
| − | EXACTMASS 430.089996796 | + | EXACTMASS 430.089996796 |
| − | AVERAGEMASS 430.36162 | + | AVERAGEMASS 430.36162 |
| − | SMILES COc(c21)cc(C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)cc(OCO2)1 | + | SMILES COc(c21)cc(C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)cc(OCO2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.9671 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4108 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8545 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8545 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4108 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8142 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3812 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3812 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8142 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9556 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 -0.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9556 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1328 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9901 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1328 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6963 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1220 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8972 2.0013 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 30 31
M SBL 4 1 34
M SMT 4 OCH3
M SVB 4 34 1.6646 1.7079
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 -1.1328 0.7229
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 0.4684 -0.9987
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.8472 -1.2954
S SKP 8
ID FL5FGGNS0017
KNApSAcK_ID C00005071
NAME 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
CAS_RN 82668-93-7
FORMULA C21H18O10
EXACTMASS 430.089996796
AVERAGEMASS 430.36162
SMILES COc(c21)cc(C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)cc(OCO2)1
M END
