Mol:FL3FA9NC0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.8424 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8424 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2702 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2702 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9389 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0729 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0729 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9389 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3987 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 -1.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3987 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1996 1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 -1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6785 -1.9036 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
2 18 1 0 0 0 0
19 3 1 0 0 0 0
18 20 2 0 0 0 0
20 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
24 18 1 0 0 0 0
22 25 1 0 0 0 0
24 26 2 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
23 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SVB 2 32 -2.393 -1.4911
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -1.1996 1.2193
S SKP 8
ID FL3FA9NC0002
KNApSAcK_ID C00004069
NAME Hoslundin
CAS_RN 135404-51-2
FORMULA C23H18O7
EXACTMASS 406.10525293
AVERAGEMASS 406.38482
SMILES c(c3)(c2c(O)c(C(=C4)C(C(=C(C)O4)OC)=O)c3OC)OC(=CC(=O)2)c(c1)cccc1
M END
