Mol:FL5F2LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.3202 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6775 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6775 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1775 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1775 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7710 -1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7710 -1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1038 1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1038 1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3963 2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3963 2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.8254 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 2.1618 1.2379 | + | M SVB 4 28 2.1618 1.2379 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.1038 1.5294 | + | M SVB 3 26 0.1038 1.5294 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 0.1038 -0.9137 | + | M SVB 2 24 0.1038 -0.9137 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.6775 0.5537 | + | M SVB 1 22 -2.6775 0.5537 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F2LNS0001 | + | ID FL5F2LNS0001 |
| − | KNApSAcK_ID C00004780 | + | KNApSAcK_ID C00004780 |
| − | NAME 6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone | + | NAME 6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES O(c23)C(=C(C(c2cc(O)c(OC)c3)=O)OC)c(c(OC)1)cc(O)c(OC)c1 | + | SMILES O(c23)C(=C(C(c2cc(O)c(OC)c3)=O)OC)c(c(OC)1)cc(O)c(OC)c1 |
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
-2.3202 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1038 1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.8254 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
2 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 2.1618 1.2379
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.1038 1.5294
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.1038 -0.9137
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.6775 0.5537
S SKP 8
ID FL5F2LNS0001
KNApSAcK_ID C00004780
NAME 6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone
CAS_RN -
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES O(c23)C(=C(C(c2cc(O)c(OC)c3)=O)OC)c(c(OC)1)cc(O)c(OC)c1
M END
