Mol:FL5FCDNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0107 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0107 2.6397 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 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 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 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 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 1.5693 1.7424 | + | M SVB 2 25 1.5693 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 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 -2.4197 0.482 | + | M SVB 1 23 -2.4197 0.482 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCDNS0001 | + | ID FL5FCDNS0001 |
| − | KNApSAcK_ID C00004642 | + | KNApSAcK_ID C00004642 |
| − | NAME Rhamnazin;3,4',5-Trihydroxy-3',7-dimethoxyflavone;7,3'-Di-O-methylquercetin;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | + | NAME Rhamnazin;3,4',5-Trihydroxy-3',7-dimethoxyflavone;7,3'-Di-O-methylquercetin;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 552-54-5 | + | CAS_RN 552-54-5 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(OC)c(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(OC)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 2.6397 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
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 1.5693 1.7424
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 -2.4197 0.482
S SKP 8
ID FL5FCDNS0001
KNApSAcK_ID C00004642
NAME Rhamnazin;3,4',5-Trihydroxy-3',7-dimethoxyflavone;7,3'-Di-O-methylquercetin;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 552-54-5
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(OC)c(O)c2
M END
