Mol:FL5FG8NS0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8968 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8968 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0084 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0084 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5163 -1.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5163 -1.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9127 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9127 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2932 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4206 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4206 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1830 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1830 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2946 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2946 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1975 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1975 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5076 -1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5076 -1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8980 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8980 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3995 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3995 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0146 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0146 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1283 0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1283 0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6269 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6269 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0117 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0117 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6278 -1.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6278 -1.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9199 0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9199 0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3338 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3338 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1412 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1412 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4834 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4834 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7673 1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7673 1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4254 2.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4254 2.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7807 -1.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7807 -1.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7655 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7655 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6485 -0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6485 -0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1180 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1180 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9491 -1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9491 -1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7151 -2.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7151 -2.3233 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 6 SUP | + | M STY 1 6 SUP |
| − | M SLB 1 6 6 | + | M SLB 1 6 6 |
| − | M SAL 6 2 29 30 | + | M SAL 6 2 29 30 |
| − | M SBL 6 1 31 | + | M SBL 6 1 31 |
| − | M SMT 6 OCH3 | + | M SMT 6 OCH3 |
| − | M SVB 6 31 0.3617 -0.843 | + | M SVB 6 31 0.3617 -0.843 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 27 28 | + | M SAL 5 2 27 28 |
| − | M SBL 5 1 29 | + | M SBL 5 1 29 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 29 -2.7769 -0.5453 | + | M SVB 5 29 -2.7769 -0.5453 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 2.0624 0.1204 | + | M SVB 4 27 2.0624 0.1204 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.3617 1.6001 | + | M SVB 3 25 0.3617 1.6001 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.4197 0.6243 | + | M SVB 2 23 -2.4197 0.6243 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.2281 0.8998 | + | M SVB 1 21 -1.2281 0.8998 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FG8NS0001 | + | ID FL5FG8NS0001 |
| − | KNApSAcK_ID C00004785 | + | KNApSAcK_ID C00004785 |
| − | NAME Grantioidinin;2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | + | NAME Grantioidinin;2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 135755-50-9 | + | CAS_RN 135755-50-9 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(ccc(OC)2)OC)OC)=O)O)OC)OC | + | SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(ccc(OC)2)OC)OC)=O)O)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.8968 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0084 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5163 -1.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9127 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2932 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2946 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1975 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 -1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8980 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3995 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0146 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6269 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0117 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6278 -1.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3338 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4834 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7673 1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 2.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 -1.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7655 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6485 -0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9491 -1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 -2.3233 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 29 30
M SBL 6 1 31
M SMT 6 OCH3
M SVB 6 31 0.3617 -0.843
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 -2.7769 -0.5453
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 2.0624 0.1204
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.3617 1.6001
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.4197 0.6243
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.2281 0.8998
S SKP 8
ID FL5FG8NS0001
KNApSAcK_ID C00004785
NAME Grantioidinin;2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 135755-50-9
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(ccc(OC)2)OC)OC)=O)O)OC)OC
M END
