Mol:FLIA3ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3488 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9123 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.9628 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
1 11 1 0 0 0 0
8 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
7 18 2 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
15 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 -1.1691
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 -1.3488 1.5816
S SKP 8
ID FLIA3ANS0002
KNApSAcK_ID C00009400
NAME 8-O-Methylretusin
CAS_RN 37816-20-9
FORMULA C17H14O5
EXACTMASS 298.084123558
AVERAGEMASS 298.29006
SMILES COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(OC)c(O)c1
M END
