Mol:FLIAALNP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4092 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2597 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8160 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8160 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2597 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5617 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5617 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2597 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1559 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7779 -2.1193 0.0000 O 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
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
6 22 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 21 2 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FLIAALNP0008
KNApSAcK_ID C00009521
NAME Auriculatin
CAS_RN 20387-73-9
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OC=C(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C
M END
