Mol:FL5FFLNS0005
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 |
| − | -2.1416 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1416 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0290 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0290 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0290 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0290 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7737 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7737 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7737 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7737 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6977 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6977 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3405 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3405 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0729 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0729 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6397 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6397 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5057 -0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5057 -0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9496 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9496 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8156 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8156 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3073 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3073 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8708 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8708 1.9452 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 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -1.3073 1.0455 | + | M SVB 3 28 -1.3073 1.0455 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.2825 -0.6973 | + | M SVB 2 26 0.2825 -0.6973 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 1.9832 0.2661 | + | M SVB 1 24 1.9832 0.2661 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFLNS0005 | + | ID FL5FFLNS0005 |
| − | KNApSAcK_ID C00004839 | + | KNApSAcK_ID C00004839 |
| − | NAME 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone | + | NAME 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone |
| − | CAS_RN 100363-97-1 | + | CAS_RN 100363-97-1 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES c(c1OC)(O)cc(c(C3=O)c(OC(=C3OC)c(c(O)2)cc(OC)c(O)c2)1)O | + | SMILES c(c1OC)(O)cc(c(C3=O)c(OC(=C3OC)c(c(O)2)cc(OC)c(O)c2)1)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
-2.1416 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3405 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0729 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5057 -0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9496 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8156 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3073 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 1.9452 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
17 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -1.3073 1.0455
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 0.2825 -0.6973
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.9832 0.2661
S SKP 8
ID FL5FFLNS0005
KNApSAcK_ID C00004839
NAME 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
CAS_RN 100363-97-1
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES c(c1OC)(O)cc(c(C3=O)c(OC(=C3OC)c(c(O)2)cc(OC)c(O)c2)1)O
M END
