Mol:FL5FF8NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 1.6360 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
17 21 1 0 0 0 0
1 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 SVB 1 24 -2.1362 0.77
S SKP 8
ID FL5FF8NS0001
KNApSAcK_ID C00004608
NAME 3,5,8,2'-Tetrahydroxy-7-methoxyflavone
CAS_RN 112161-54-3
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c3)c(O)c(O1)c(c(O)3)C(=O)C(O)=C1c(c2)c(O)ccc2
M END
