Mol:FL1CA9NS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-1.9517 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3953 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2830 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 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
9 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
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
5 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 SBV 1 20 -4.1346 2.9392
S SKP 8
ID FL1CA9NS0003
KNApSAcK_ID C00006935
NAME Cardamonin
CAS_RN 19309-14-9
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)cc(O)1
M END
</pre>
