Mol:FL2FA8NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6795 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5350 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -1.4198 0.0000 C 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 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
16 18 1 0 0 0 0
19 1 1 0 0 0 0
12 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -8.7324 5.2775
S SKP 8
ID FL2FA8NS0002
KNApSAcK_ID C00008339
NAME 7,2',6'-Trihydroxy-5-methoxyflavanone
CAS_RN 92519-96-5
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(C2)c(c(O)1)c(O)ccc1
M END
