Mol:FL5FFANS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-0.7191 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0691 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1365 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4343 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0691 -1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1421 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8607 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8631 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1476 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4331 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 2.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -0.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6048 2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2799 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1102 -1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9799 2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4343 -1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1488 -2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1488 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8633 -1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5654 0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5654 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2799 1.2628 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 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
3 12 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 17 2 0 0 0 0
17 7 1 0 0 0 0
11 26 1 0 0 0 0
9 30 1 0 0 0 0
8 18 1 0 0 0 0
4 19 1 0 0 0 0
19 23 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
18 25 1 0 0 0 0
26 28 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
30 32 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL5FFANS0024
KNApSAcK_ID C00013545
NAME 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 117155-59-6
FORMULA C23H20O10
EXACTMASS 456.10564686
AVERAGEMASS 456.3989
SMILES O(C)c(c1)ccc(C(O3)=C(OC(C)=O)C(=O)c(c23)c(cc(c2OC)OC(C)=O)OC(C)=O)c1
M END
