Mol:FL2FE9NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0685 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2882 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 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
9 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
2 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 -2.3149 -0.3996
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 -1.9576 0.77
S SKP 8
ID FL2FE9NS0003
KNApSAcK_ID C00008149
NAME Onysilin
CAS_RN 73695-94-0
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(C3)c(c2)cccc2
M END
