Mol:FL5FGCNS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 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 |
| − | -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 |
| − | -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 |
| − | -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 |
| − | -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 |
| − | -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 |
| − | -1.2588 -3.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2588 -3.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9314 -4.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9314 -4.0187 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 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 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 4 2 27 28 |
| − | M SBL 4 1 29 | + | M SBL 4 1 29 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 29 -1.0494 0.7182 | + | M SVB 4 29 -1.0494 0.7182 |
| − | 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 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.241 0.4428 | + | M SVB 3 27 -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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.5403 -1.0246 | + | M SVB 2 25 0.5403 -1.0246 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.5983 -0.7269 | + | M SVB 1 23 -2.5983 -0.7269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0008 | + | ID FL5FGCNS0008 |
| − | KNApSAcK_ID C00004793 | + | KNApSAcK_ID C00004793 |
| − | NAME 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone;5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | + | NAME 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone;5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 81943-52-4 | + | CAS_RN 81943-52-4 |
| − | FORMULA C19H18O9 | + | FORMULA C19H18O9 |
| − | EXACTMASS 390.095082174 | + | EXACTMASS 390.095082174 |
| − | AVERAGEMASS 390.34082 | + | AVERAGEMASS 390.34082 |
| − | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)OC)(c1)cc(O)c(O)c1 | + | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)OC)(c1)cc(O)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 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
-2.2844 -5.6033 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
-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
-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
-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
-1.2588 -3.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9314 -4.0187 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
16 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
8 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
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 -1.0494 0.7182
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.241 0.4428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.5403 -1.0246
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.5983 -0.7269
S SKP 8
ID FL5FGCNS0008
KNApSAcK_ID C00004793
NAME 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone;5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 81943-52-4
FORMULA C19H18O9
EXACTMASS 390.095082174
AVERAGEMASS 390.34082
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)OC)(c1)cc(O)c(O)c1
M END
