Mol:FL2FF8NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8799 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8382 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8382 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8799 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3173 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2036 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2036 0.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3173 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3173 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7927 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7927 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2536 1.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2372 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8023 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7373 1.5848 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
17 19 1 0 0 0 0
14 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.2372 0.7188
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 -1.1579 0.9294
S SKP 8
ID FL2FF8NS0004
KNApSAcK_ID C00008411
NAME 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
CAS_RN 111199-93-0
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)ccc(O)2
M END
