Mol:FL5FECNS0030
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 |
| − | -2.9951 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9951 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5031 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5031 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8994 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8994 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7879 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7879 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2799 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2799 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8836 0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8836 0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1843 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1843 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0727 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0727 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5648 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5648 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1684 1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1684 1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8005 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8005 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4533 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4533 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8381 2.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8381 2.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7244 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7244 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2259 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2259 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8411 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8411 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9548 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9548 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5985 -0.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5985 -0.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4075 -1.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4075 -1.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 3.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 3.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0596 4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0596 4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1002 3.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1002 3.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5037 4.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5037 4.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1091 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1091 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1330 1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1330 1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8066 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8066 1.5393 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 |
| − | 8 26 1 0 0 0 0 | + | 8 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 0.183 -0.9854 | + | M SVB 4 28 0.183 -0.9854 |
| − | 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 -2.9555 -0.6877 | + | M SVB 3 26 -2.9555 -0.6877 |
| − | 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 1.3907 1.7424 | + | M SVB 2 24 1.3907 1.7424 |
| − | 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 2.241 1.1662 | + | M SVB 1 22 2.241 1.1662 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0030 | + | ID FL5FECNS0030 |
| − | KNApSAcK_ID C00004706 | + | KNApSAcK_ID C00004706 |
| − | NAME Bonanzin;5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone;Quercetagetin 3,6,3',4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one | + | NAME Bonanzin;5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone;Quercetagetin 3,6,3',4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 35688-42-7 | + | CAS_RN 35688-42-7 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2)OC)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2)OC)=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
-2.9951 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5031 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2799 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8836 0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1843 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5648 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8381 2.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7244 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8411 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9548 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5985 -0.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4075 -1.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 3.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0596 4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1002 3.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 4.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1330 1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8066 1.5393 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
16 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
8 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 0.183 -0.9854
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 -2.9555 -0.6877
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 1.3907 1.7424
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 2.241 1.1662
S SKP 8
ID FL5FECNS0030
KNApSAcK_ID C00004706
NAME Bonanzin;5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone;Quercetagetin 3,6,3',4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 35688-42-7
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2)OC)=O
M END
