Mol:FL1A3CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.2456 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 -0.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0861 2.0007 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
3 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 23
M SMT 1 OCH3
M SVB 1 23 -1.5052 1.0928
S SKP 8
ID FL1A3CNS0002
KNApSAcK_ID C00008030
NAME Leptosidin
CAS_RN 486-214-8
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c(O)3)c(o1)c(cc3)c(=O)c(=Cc(c2)cc(O)c(O)c2)1
M END
