Mol:FLIAE8NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.4912 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5756 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3713 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6568 -0.7004 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
12 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 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 ^OCH3
M SBV 1 24 -6.1203 3.3188
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 SBV 2 26 -5.8422 3.0888
S SKP 8
ID FLIAE8NS0002
KNApSAcK_ID C00009467
NAME Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 3743-44-0
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)c(OC)ccc2)C1=O
M END
