Mol:FL2FAENP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.5135 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4949 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7178 -1.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0487 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -1.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3658 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7622 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4696 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4985 1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7822 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0619 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -1.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2130 1.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9343 1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8050 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5746 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3136 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2831 0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7616 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9343 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1840 0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7178 -1.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 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
18 14 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
13 26 1 0 0 0 0
3 27 1 0 0 0 0
S SKP 8
ID FL2FAENP0001
KNApSAcK_ID C00014241
NAME (2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS_RN 417705-70-5
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES O(c21)C(c(c4)cc(O)c(OC)c4)CC(=O)c(c(O)cc(O3)c2C=CC(C)(C)3)1
M END
