Mol:FLIA1LNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.2752 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2752 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 -1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6957 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6957 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7526 1.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3489 -1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 -0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3489 0.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2084 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -1.2114 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 ^OCH3
M SBV 1 25 -6.9043 3.2645
S SKP 8
ID FLIA1LNS0007
KNApSAcK_ID C00009404
NAME Cuneatin;Maximaisoflavone G
CAS_RN 7741-28-8
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c3)c(cc(O4)c(OC4)3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
