Mol:FLND4ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-0.9335 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3323 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0992 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 2.8273 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 1 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 2 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 2 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 2 0 0 0 0
5 18 1 1 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.2908 1.9613
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.0992 2.2367
S SKP 8
ID FLND4ANS0001
KNApSAcK_ID C00010256
NAME (R)-4'-Hydroxy-3,4-dimethoxydalbergione
CAS_RN 69471-24-5
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)ccc(O)c1
M END
