Mol:FL2FAANMH001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.7330 0.0000 Cl 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
6 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
5 22 1 0 0 0 0
S SKP 8
ID FL2FAANMH001
KNApSAcK_ID C00008409
NAME 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone
CAS_RN 132342-07-5
FORMULA C16H13ClO5
EXACTMASS 320.045151236
AVERAGEMASS 320.72411999999997
SMILES Oc(c3)ccc(c3)C(O1)C(C)C(=O)c(c(O)2)c1c(Cl)c(O)c2
M END
