Mol:FL2FEGNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.6118 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6118 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8973 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1829 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1829 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8973 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4684 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2461 -1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2461 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4684 -0.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0046 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4335 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4335 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 1.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0046 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4684 -2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8973 -2.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2729 -0.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2798 -1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8281 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8318 -0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0713 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1589 1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3895 2.4069 0.0000 C 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
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
1 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL2FEGNS0004
KNApSAcK_ID C00014140
NAME 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
CAS_RN 310888-08-5
FORMULA C19H20O8
EXACTMASS 376.11581761599996
AVERAGEMASS 376.3573
SMILES O(C(c(c3)cc(c(OC)c(O)3)OC)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC
M END
