Mol:FL1DA9NM0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.4980 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4980 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -1.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3591 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -1.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 0.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3870 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2120 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
5 18 1 0 0 0 0
2 19 1 0 0 0 0
6 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 22
M SMT 1 ^OCH3
M SBV 1 22 -5.7347 4.6219
S SKP 8
ID FL1DA9NM0004
KNApSAcK_ID C00007997
NAME Myrigalon B
CAS_RN 34328-55-7
FORMULA C18H20O4
EXACTMASS 300.136159128
AVERAGEMASS 300.349
SMILES c(c2OC)(c(c(c(c2C)O)C(=O)CCc(c1)cccc1)O)C
M END
