Mol:FL5FEANI0007
From Metabolomics.JP
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
