Mol:FLIC1LNS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1515 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0389 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0737 0.4677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0737 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4826 1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2246 1.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8072 -1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5217 -1.4676 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 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 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
17 1 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
13 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 0.8072 -1.0551
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 2.0563 -0.7464
S SKP 8
ID FLIC1LNS0015
KNApSAcK_ID C00010029
NAME Methoxyvestitol;(3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan
CAS_RN 122587-86-4
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c3)c(OC)cc(c(O)3)C(C1)Cc(c2)c(cc(O)c2)O1
M END
