Mol:FL4DA8NS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.5761 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4943 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.2562 0.0000 O 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 6 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 1 0 0 0
2 20 1 0 0 0 0
17 21 1 0 0 0 0
13 22 1 0 0 0 0
S SKP 8
ID FL4DA8NS0005
KNApSAcK_ID C00008574
NAME 3,5,7,2',6'-Pentahydroxyflavanone
CAS_RN 82854-32-8
FORMULA C15H12O7
EXACTMASS 304.058302738
AVERAGEMASS 304.25158
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c(O)2)c(O)ccc2
M END
