Mol:FLNC29NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.1697 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0962 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9623 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1697 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 -1.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3856 1.9942 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 1 0 0 0
6 7 2 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
5 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 15 2 0 0 0 0
15 10 1 0 0 0 0
8 16 1 0 0 0 0
5 17 1 6 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
3 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 0.5195 1.4943
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 -1.5269 1.78
S SKP 8
ID FLNC29NS0001
KNApSAcK_ID C00010260
NAME (S)-5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol
CAS_RN 36286-66-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cc(O)cc1
M END
