Mol:FL3FALNI0020
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0020 | + | ID FL3FALNI0020 |
| − | KNApSAcK_ID C00013421 | + | KNApSAcK_ID C00013421 |
| − | NAME Heteroartonin A;2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Heteroartonin A;2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 170894-23-2 | + | CAS_RN 170894-23-2 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES C(=C2c(c(O)3)cc(O)c(OC)c(CC=C(C)C)3)(CC=C(C)C)C(=O)c(c(O2)1)c(cc(O)c1)O | + | SMILES C(=C2c(c(O)3)cc(O)c(OC)c(CC=C(C)C)3)(CC=C(C)C)C(=O)c(c(O2)1)c(cc(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 1 0 0 0 0
12 23 1 0 0 0 0
18 24 1 0 0 0 0
21 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
S SKP 8
ID FL3FALNI0020
KNApSAcK_ID C00013421
NAME Heteroartonin A;2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 170894-23-2
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES C(=C2c(c(O)3)cc(O)c(OC)c(CC=C(C)C)3)(CC=C(C)C)C(=O)c(c(O2)1)c(cc(O)c1)O
M END
