Mol:FL3FA9NM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.4621 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4621 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2068 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7631 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7631 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2068 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2068 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3192 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8861 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4531 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4531 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8861 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3192 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0182 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3195 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4531 -0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 -1.3861 0.0000 O 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
22 23 2 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.8194 0.77
S SKP 8
ID FL3FA9NM0003
KNApSAcK_ID C00003994
NAME Hoslundal
CAS_RN 135404-52-3
FORMULA C18H14O5
EXACTMASS 310.084123558
AVERAGEMASS 310.30076
SMILES O(C=2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1O)CC=O)OC
M END
