Mol:FL2FACNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.0238 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2014 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5799 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4583 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5799 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1360 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2458 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3532 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9058 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4583 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9058 -1.7753 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FACNI0006
KNApSAcK_ID C00008326
NAME Diplacone
CAS_RN 73676-38-7
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3)(O)c(cc(c3)C(C2)Oc(c(C(=O)2)1)cc(c(c(O)1)CC=C(C)CCC=C(C)C)O)O
M END
