Mol:FLIAALNP0009
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.6210 0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6210 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 -0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5084 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5084 0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0479 -0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6042 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6042 0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0479 0.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1603 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1603 -1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7551 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3499 -1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3499 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7551 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0479 -1.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 -1.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 0.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5086 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5086 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0463 2.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 2.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7332 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7332 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5661 -1.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1786 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3013 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2159 -2.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0820 -2.6385 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 5 1 0 0 0 0
8 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 19 2 0 0 0 0
12 28 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.5868 -1.8447
S SKP 8
ID FLIAALNP0009
KNApSAcK_ID C00009525
NAME Auriculin;Auriculatin 4'-methyl ether
CAS_RN 30431-68-6
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES c(c4)(c(O)cc(OC)c4)C(C3=O)=COc(c23)c(CC=C(C)C)c(c(c2O)1)OC(C=C1)(C)C
M END
</pre>
