Mol:FL2FAGNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9629 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 -0.1822 0.0000 O 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
S SKP 8
ID FL2FAGNS0001
KNApSAcK_ID C00008342
NAME 5,7,3',4',5'-Pentahydroxyflavanone
CAS_RN 81398-31-4
FORMULA C15H12O7
EXACTMASS 304.058302738
AVERAGEMASS 304.25158
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)cc(O)c(O)c(O)2
M END
