Mol:FL4DAHNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.7070 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9944 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7038 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9871 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2781 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1545 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1509 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2304 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8014 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5571 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9871 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3248 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7323 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8988 1.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8256 -0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3248 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 1 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL4DAHNS0001
KNApSAcK_ID C00014371
NAME Hovenitin I;(2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
CAS_RN 71106-82-6
FORMULA C16H14O8
EXACTMASS 334.068867424
AVERAGEMASS 334.27756
SMILES COc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c(cc(O)c3)2
M END
