Mol:FLICWXNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-0.5368 2.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0061 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3746 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1031 2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2776 0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 0.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2860 1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 1.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1889 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7950 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0853 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1634 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8082 2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6917 -1.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2495 -0.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1921 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 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 1 0 0 0 0
12 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 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.0247 -0.6772
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.1163 -0.4015
S SKP 8
ID FLICWXNS0005
KNApSAcK_ID C00009752
NAME 2'-O-Methylsepiol;7,3'-Dihydroxy-2',4'-dimethoxyisoflavene
CAS_RN 62078-14-2
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)c(O)c(OC)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1
M END
