Mol:FL5FDHNS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 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 |
| − | -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 |
| − | 2.7188 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7188 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 -0.1430 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 |
| − | 1.0288 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0288 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8949 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8949 -1.7790 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 |
| − | 14 20 1 0 0 0 0 | + | 14 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 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 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 0.3617 -0.9854 | + | M SVB 3 27 0.3617 -0.9854 |
| − | 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 FL5FDHNS0002 | + | ID FL5FDHNS0002 |
| − | KNApSAcK_ID C00004770 | + | KNApSAcK_ID C00004770 |
| − | NAME Myricetin 3,7,3'-trimethyl ether;3,7,3'-Trimethoxy-5,4',5'-trihydroxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Myricetin 3,7,3'-trimethyl ether;3,7,3'-Trimethoxy-5,4',5'-trihydroxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 94390-21-3 | + | CAS_RN 94390-21-3 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c21)(O)cc(OC)cc(OC(c(c3)cc(OC)c(O)c(O)3)=C(C2=O)OC)1 | + | SMILES c(c21)(O)cc(OC)cc(OC(c(c3)cc(OC)c(O)c(O)3)=C(C2=O)OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 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
-1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7188 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 -0.1430 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
1.0288 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8949 -1.7790 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
14 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
8 25 1 0 0 0 0
25 26 1 0 0 0 0
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 0.3617 -0.9854
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 FL5FDHNS0002
KNApSAcK_ID C00004770
NAME Myricetin 3,7,3'-trimethyl ether;3,7,3'-Trimethoxy-5,4',5'-trihydroxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 94390-21-3
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c21)(O)cc(OC)cc(OC(c(c3)cc(OC)c(O)c(O)3)=C(C2=O)OC)1
M END
