Mol:FL5FFANS0012
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9198 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9198 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0288 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0288 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8948 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8948 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2281 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2281 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7916 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7916 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 |
| − | 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 |
| − | 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 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 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 -1.2281 1.0455 | + | M SVB 3 26 -1.2281 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 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 0.3617 -0.6973 | + | M SVB 2 24 0.3617 -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 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 -2.4197 0.77 | + | M SVB 1 22 -2.4197 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0012 | + | ID FL5FFANS0012 |
| − | KNApSAcK_ID C00004619 | + | KNApSAcK_ID C00004619 |
| − | NAME Herbacetin 3,7,8-trimethyl ether;5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one | + | NAME Herbacetin 3,7,8-trimethyl ether;5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 6586-29-4 | + | CAS_RN 6586-29-4 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2OC)1)O | + | SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2OC)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 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
3 18 1 0 0 0 0
15 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
6 24 1 0 0 0 0
24 25 1 0 0 0 0
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 -1.2281 1.0455
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 0.3617 -0.6973
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 -2.4197 0.77
S SKP 8
ID FL5FFANS0012
KNApSAcK_ID C00004619
NAME Herbacetin 3,7,8-trimethyl ether;5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 6586-29-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2OC)1)O
M END
