Mol:FL4DACNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4156 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0153 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4352 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4420 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5938 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8739 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1798 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1433 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2730 0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1530 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6075 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6075 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2730 -0.5827 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 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
15 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL4DACNI0004
KNApSAcK_ID C00014400
NAME 6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone
CAS_RN 220936-65-2
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3CCC(C)=O)(O)cc(O1)c(c3O)C(C(C1c(c2)cc(O)c(O)c2)O)=O
M END
