Mol:FL3FEANS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0592 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0592 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0590 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0590 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6151 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 1.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9163 2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7737 1.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7737 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7470 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1148 -0.1650 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.7737 0.2425
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.7737 1.4977
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4164 1.4122
S SKP 8
ID FL3FEANS0011
KNApSAcK_ID C00004022
NAME 5-Allyloxysalvigenin
CAS_RN 87200-85-9
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c3OC)cc(c2c(OCC=C)3)OC(=CC2=O)c(c1)ccc(OC)c1
M END
