Mol:FLIA19NM0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5950 1.6390 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
1 11 1 0 0 0 0
8 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
7 18 2 0 0 0 0
9 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
S SKP 8
ID FLIA19NM0004
KNApSAcK_ID C00009396
NAME Glyzarin
CAS_RN 62820-28-4
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O
M END
