Mol:FLIJ1ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3518 1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.6763 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 9 2 0 0 0 0
1 2 1 0 0 0 0
1 15 1 0 0 0 0
8 16 1 0 0 0 0
7 17 2 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 2.0247 -0.8826
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -0.5142 1.2951
S SKP 8
ID FLIJ1ANS0002
KNApSAcK_ID C00009795
NAME 2-O-Methylangolensin
CAS_RN 58822-06-3
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c2)ccc(c2)C(C)C(=O)c(c1)c(OC)cc(O)c1
M END
