Mol:FL1CCANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.3315 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6628 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 1.9782 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 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
13 18 1 0 0 0 0
5 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.6887 1.1122
S SKP 8
ID FL1CCANS0001
KNApSAcK_ID C00006953
NAME Neosakuranetin
CAS_RN 81719-04-2
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)1
M END
