Mol:FLND29NS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-0.7976 0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7976 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2971 0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2971 1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 0.1112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2042 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2042 0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 1.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2977 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 -0.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2212 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2212 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 -0.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1640 1.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6833 2.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
10 5 2 0 0 0 0
2 11 2 0 0 0 0
7 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 1 1 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
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 -1.164 1.5809
S SKP 8
ID FLND29NS0001
KNApSAcK_ID C00002549
NAME (R)-4-Methoxydalbergione
CAS_RN 4646-86-0
FORMULA C16H14O3
EXACTMASS 254.094294314
AVERAGEMASS 254.28056
SMILES COc(c2)c(=O)cc(c(=O)2)[C@]([H])(C=C)c(c1)cccc1
M END
</pre>
