Mol:FL2F9ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.2601 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7392 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2184 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2184 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7392 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7392 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1766 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1766 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9460 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6604 0.9130 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
2 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 4 1 0 0 0 0
10 12 1 0 0 0 0
8 13 2 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
1 19 1 0 0 0 0
16 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 22
M SMT 1 OCH3
M SBV 1 22 -4.7189 7.5830
S SKP 8
ID FL2F9ANS0001
KNApSAcK_ID C00008391
NAME 5,6-Dihydroxy-4'-methoxyflavanone
CAS_RN 123067-26-5
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(O)c1
M END
