Mol:FL3FA9NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.5655 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
3 18 1 0 0 0 0
1 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 -2.1362 0.6994
S SKP 8
ID FL3FA9NS0003
KNApSAcK_ID C00003795
NAME Tectochrysin;5-hydroxy-7-methoxyflavone
CAS_RN 520-28-5
FORMULA C16H12O4
EXACTMASS 268.073558872
AVERAGEMASS 268.26408
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cccc2
M END
