Mol:FL2FQUNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.0738 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7507 0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.4109 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 1 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 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
12 19 2 0 0 0 0
15 20 2 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.7769 0.5449
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0624 1.2292
S SKP 8
ID FL2FQUNS0001
KNApSAcK_ID C00008365
NAME Remerin
CAS_RN 41093-65-6
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(=O)cc(OC)c(=O)2
M END
