Mol:FL5FDENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
0.0016 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0064 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6886 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4199 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4409 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7232 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8349 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1379 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6810 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4136 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7317 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5789 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5603 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8408 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1599 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7184 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1409 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1346 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2780 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2727 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9925 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8491 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5635 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2780 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9925 0.6187 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
13 22 1 0 0 0 0
19 23 1 0 0 0 0
21 24 1 0 0 0 0
20 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL5FDENI0001
KNApSAcK_ID C00013527
NAME 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 443729-38-2
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c1)c(OC)c(cc1C(=C3OC)Oc(c(C3=O)2)cc(OCC=C(C)C)cc2O)O
M END
