Mol:FL3FGGNS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 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 |
| − | -1.1678 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1678 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7313 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7313 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4458 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4458 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4458 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4458 -3.1349 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 |
| − | 1.0870 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0870 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0152 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0152 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7166 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7166 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7085 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7085 -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 |
| − | 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 |
| − | 6 21 1 0 0 0 0 | + | 6 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 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 29 30 | + | M SAL 5 2 29 30 |
| − | M SBL 5 1 32 | + | M SBL 5 1 32 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 32 -2.7166 -0.7222 | + | M SVB 5 32 -2.7166 -0.7222 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 27 28 | + | M SAL 4 2 27 28 |
| − | M SBL 4 1 30 | + | M SBL 4 1 30 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 30 1.6296 1.7079 | + | M SVB 4 30 1.6296 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 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 SVB 3 28 -2.065 0.1988 | + | M SVB 3 28 -2.065 0.1988 |
| − | 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 SVB 2 26 -1.8822 -1.2954 | + | M SVB 2 26 -1.8822 -1.2954 |
| − | 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 SVB 1 24 -1.1678 0.7229 | + | M SVB 1 24 -1.1678 0.7229 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGGNS0009 | + | ID FL3FGGNS0009 |
| − | KNApSAcK_ID C00004008 | + | KNApSAcK_ID C00004008 |
| − | NAME Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one | + | NAME Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one |
| − | CAS_RN 73340-44-0 | + | CAS_RN 73340-44-0 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(c(OC)3)OC)OC)=O)cc(OCO2)1 | + | SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(c(OC)3)OC)OC)=O)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/
30 33 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
-1.1678 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7313 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -3.1349 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
1.0870 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0152 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7166 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7085 -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
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
6 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
16 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 29 30
M SBL 5 1 32
M SMT 5 OCH3
M SVB 5 32 -2.7166 -0.7222
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 30
M SMT 4 OCH3
M SVB 4 30 1.6296 1.7079
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 SVB 3 28 -2.065 0.1988
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 SVB 2 26 -1.8822 -1.2954
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 SVB 1 24 -1.1678 0.7229
S SKP 8
ID FL3FGGNS0009
KNApSAcK_ID C00004008
NAME Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one
CAS_RN 73340-44-0
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(c(OC)3)OC)OC)=O)cc(OCO2)1
M END
