Mol:FL3FECNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.6513 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6513 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3798 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3798 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7399 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7399 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3715 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3715 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6429 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6429 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2828 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2828 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7315 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7315 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3631 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3631 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6346 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6346 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2745 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2745 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5198 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5198 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2663 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2663 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3859 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3859 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7614 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7614 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4847 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4847 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1675 2.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1675 2.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5429 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5429 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2910 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2910 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4685 -1.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4685 -1.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0936 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0936 -0.8818 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 |
| − | -0.1540 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1540 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1330 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1330 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3910 2.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3910 2.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2973 3.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2973 3.1812 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 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 15 24 1 0 0 0 0 | + | 15 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 2.241 1.1662 | + | M SVB 3 26 2.241 1.1662 |
| − | 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 -2.9555 -0.6877 | + | M SVB 1 22 -2.9555 -0.6877 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNS0002 | + | ID FL3FECNS0002 |
| − | KNApSAcK_ID C00003845 | + | KNApSAcK_ID C00003845 |
| − | NAME Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one | + | NAME Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 22368-21-4 | + | CAS_RN 22368-21-4 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O | + | SMILES c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O |
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
-2.6513 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7399 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6346 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5198 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 2.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2910 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -1.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 -0.8818 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
-0.1540 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1330 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 2.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2973 3.1812 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
2 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
15 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 2.241 1.1662
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 -2.9555 -0.6877
S SKP 8
ID FL3FECNS0002
KNApSAcK_ID C00003845
NAME Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 22368-21-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O
M END
