Mol:FLIA9ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.4612 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.7467 -0.8826
S SKP 8
ID FLIA9ANS0001
KNApSAcK_ID C00009842
NAME Pallidiflorin;5-Hydroxy-4'-methoxyisoflavone
CAS_RN 133086-79-0
FORMULA C16H12O4
EXACTMASS 268.073558872
AVERAGEMASS 268.26408
SMILES COc(c3)ccc(c3)C(=C1)C(=O)c(c(O)2)c(ccc2)O1
M END
