Mol:FL5FECNM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0133 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0133 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6109 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6109 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3550 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3550 -2.2954 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -2.241 0.4428 | + | M SVB 3 28 -2.241 0.4428 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.5983 -0.7269 | + | M SVB 2 26 -2.5983 -0.7269 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 0.5403 -1.0246 | + | M SVB 1 24 0.5403 -1.0246 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNM0001 | + | ID FL5FECNM0001 |
| − | KNApSAcK_ID C00004901 | + | KNApSAcK_ID C00004901 |
| − | NAME 8-C-Methylquercetagetin 3,6,7-trimethyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one | + | NAME 8-C-Methylquercetagetin 3,6,7-trimethyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one |
| − | CAS_RN 140899-09-8 | + | CAS_RN 140899-09-8 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES O(C(c(c3)cc(O)c(O)c3)=1)c(c2C)c(c(c(c2OC)OC)O)C(C1OC)=O | + | SMILES O(C(c(c3)cc(O)c(O)c3)=1)c(c2C)c(c(c(c2OC)OC)O)C(C1OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0133 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -2.2954 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
15 19 1 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.241 0.4428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.5983 -0.7269
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 0.5403 -1.0246
S SKP 8
ID FL5FECNM0001
KNApSAcK_ID C00004901
NAME 8-C-Methylquercetagetin 3,6,7-trimethyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one
CAS_RN 140899-09-8
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES O(C(c(c3)cc(O)c(O)c3)=1)c(c2C)c(c(c(c2OC)OC)O)C(C1OC)=O
M END
