Mol:FL1ABCNM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.8587 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4298 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4298 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 1.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0006 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 -0.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8587 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8585 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5732 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 -0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 2 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
4 23 1 0 0 0 0
S SKP 8
ID FL1ABCNM0002
KNApSAcK_ID C00014655
NAME 6,3',4'-Trihydroxy-4-methoxy-7-methylaurone
CAS_RN 213979-98-7
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(c(=O)2)c(oc(=Cc(c3)cc(O)c(O)c3)2)c(C)c(O)1
M END
