Mol:FLIAEANS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.9669 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8700 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7361 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8470 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 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 5 1 0 0 0 0
8 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.847 -0.1502
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.2409 -0.8826
S SKP 8
ID FLIAEANS0008
KNApSAcK_ID C00009468
NAME Irisolone methyl ether;5,4'-Dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 3405-76-3
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)ccc(OC)c2)C1=O
M END
