Mol:FL5FEANI0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0650 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0650 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0603 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0603 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3621 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3621 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3606 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3606 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3696 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3696 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3435 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3435 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7925 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7925 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0841 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0841 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7649 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7649 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4864 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4864 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4938 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4938 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7888 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7888 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4968 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4968 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7775 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0821 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0821 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7888 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7888 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3621 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3621 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0751 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0751 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2009 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2009 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2113 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2113 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2083 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2083 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9246 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9246 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7775 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0594 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0594 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3537 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3537 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3537 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3537 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3760 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3760 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0721 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0721 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5055 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5055 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9246 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9246 1.0351 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 11 22 1 0 0 0 0 | + | 11 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEANI0007 | + | ID FL5FEANI0007 |
| − | KNApSAcK_ID C00013521 | + | KNApSAcK_ID C00013521 |
| − | NAME 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one | + | NAME 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 343337-05-3 | + | CAS_RN 343337-05-3 |
| − | FORMULA C23H26O8 | + | FORMULA C23H26O8 |
| − | EXACTMASS 430.162767808 | + | EXACTMASS 430.162767808 |
| − | AVERAGEMASS 430.44774 | + | AVERAGEMASS 430.44774 |
| − | SMILES C(O3)(=C(C(c(c32)c(OC)c(c(c2)O)OC)=O)O)c(c1)cc(c(OC)c1)CCC(CO)C | + | SMILES C(O3)(=C(C(c(c32)c(OC)c(c(c2)O)OC)=O)O)c(c1)cc(c(OC)c1)CCC(CO)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.0650 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0603 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3621 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3606 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3696 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3435 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7925 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0841 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7649 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4938 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7888 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4968 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0821 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7888 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3621 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2009 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2113 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2083 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9246 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3537 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3537 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3760 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0721 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5055 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9246 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
11 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
17 30 1 0 0 0 0
21 31 1 0 0 0 0
S SKP 8
ID FL5FEANI0007
KNApSAcK_ID C00013521
NAME 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 343337-05-3
FORMULA C23H26O8
EXACTMASS 430.162767808
AVERAGEMASS 430.44774
SMILES C(O3)(=C(C(c(c32)c(OC)c(c(c2)O)OC)=O)O)c(c1)cc(c(OC)c1)CCC(CO)C
M END
