Mol:FL4DFANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7701 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7701 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 -0.5014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3134 0.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2075 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3681 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9025 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9025 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3681 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2905 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7448 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2905 1.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5908 0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 0.9744 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
6 18 1 0 0 0 0
8 19 1 0 0 0 0
2 20 1 0 0 0 0
15 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -0.5908 0.6369
S SKP 8
ID FL4DFANS0001
KNApSAcK_ID C00008568
NAME 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone
CAS_RN 98006-94-1
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)C(c(c2)ccc(O)c2)1
M END
