Mol:FL4DABNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.8367 0.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1240 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8335 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1167 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4041 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4077 0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6878 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6951 0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6750 0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1007 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3847 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6867 -1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1167 -1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4291 0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7498 2.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4291 1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5646 -2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 -2.0581 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
8 22 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
22 24 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL4DABNS0002
KNApSAcK_ID C00014375
NAME 5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone
CAS_RN 187522-24-3
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c21)(O)cc(O)cc(OC(c(c3)ccc(OC)c3)C(C2=O)OC(C)=O)1
M END
