Mol:FL4DBANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7799 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2590 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2590 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7799 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3036 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3036 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3003 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 -0.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3003 -0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3003 1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7133 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9989 -1.3454 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
3 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 4 1 0 0 0 0
9 11 1 1 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 6 0 0 0
1 20 1 0 0 0 0
15 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -8.4439 4.5248
S SKP 8
ID FL4DBANM0001
KNApSAcK_ID C00008593
NAME 3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
CAS_RN 78417-24-0
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c(C)3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)C(O)1
M END
