Mol:FL2FEANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8949 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8949 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7823 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7823 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 -0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 0.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4534 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0203 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0203 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4534 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4865 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6094 1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6094 -0.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8949 -0.8185 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 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
2 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 -7.0190 2.4639
S SKP 8
ID FL2FEANS0002
KNApSAcK_ID C00008233
NAME 5,7,4'-Trihydroxy-6-methoxyflavanone
CAS_RN 94942-49-1
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)ccc(O)c1
M END
