Mol:FL2FABNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.1291 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1291 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9148 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 0.8988 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
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 2 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 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 1 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
7 20 2 0 0 0 0
14 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 SBV 1 23 -6.7371 4.3886
S SKP 8
ID FL2FABNS0001
KNApSAcK_ID C00000973
NAME Isosakuranetin
CAS_RN 480-43-3
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
