Mol:FLNC49NS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-0.9136 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3573 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1988 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1988 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3523 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0622 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9136 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3573 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2226 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2226 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3688 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3688 -0.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7707 2.5084 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 6 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
5 18 1 1 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
1 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 22
M SMT 2 OCH3
M SVB 2 22 -1.2708 1.6423
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -0.0792 1.9177
S SKP 8
ID FLNC49NS0001
KNApSAcK_ID C00010262
NAME (R)-2,5-Dihydroxy-3,4-dimethoxydalbergiquinol;(R)-3,4Dimethoxydalbergionequinol
CAS_RN 1857-06-3
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c(O)2)c(OC)c(O)c(c2)[C@]([H])(C=C)c(c1)cccc1
M END
</pre>
