Mol:FL5FE9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.8121 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
1 19 1 0 0 0 0
3 20 1 0 0 0 0
2 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 -7.8795 8.1627
S SKP 8
ID FL5FE9NS0002
KNApSAcK_ID C00004543
NAME Alnusin;3,5,7-Trihydroxy-6-methoxyflavone;6-Methoxygalangin;3,5,7-Trihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 32483-97-9
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cccc2)=C(O)1
M END
