Mol:FLNC29NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 0 0 0 0 0 0999 V2000
-0.9053 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.1624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3606 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3606 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7624 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
9 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
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 -1.2625 1.78
S SKP 8
ID FLNC29NS0002
KNApSAcK_ID C00010261
NAME Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol
CAS_RN 3527-07-9
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c2)c(O)cc(c(O)2)C(C=C)c(c1)cccc1
M END
