Mol:FL2FAENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.3810 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3810 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8442 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8442 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5342 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5342 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9371 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9371 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4932 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6030 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7105 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2630 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8155 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2630 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1010 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8155 0.7145 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
2 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
24 26 1 0 0 0 0
26 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
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 33
M SMT 1 OCH3
M SBV 1 33 -5.5645 6.5657
S SKP 8
ID FL2FAENI0001
KNApSAcK_ID C00008327
NAME 4'-O-Methyldiplacone
CAS_RN -
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c1C(O2)CC(=O)c(c3O)c2cc(O)c3CC=C(CCC=C(C)C)C)c(O)c(OC)cc1
M END
