Mol:FL5FG9NI0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.3644 -1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3740 -0.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2856 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0671 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3356 -0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7816 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7897 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2856 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4968 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2154 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2178 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5023 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -2.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 -0.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5041 -2.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7505 -2.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4539 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2178 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
3 12 2 0 0 0 0
7 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 7 1 0 0 0 0
11 18 1 0 0 0 0
9 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
10 22 1 0 0 0 0
4 23 1 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 2 0 0 0 0
21 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL5FG9NI0001
KNApSAcK_ID C00013544
NAME (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
CAS_RN 221231-21-6
FORMULA C22H20O8
EXACTMASS 412.11581761599996
AVERAGEMASS 412.3894
SMILES COc(c1O)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(OC)2)c(OC(C(C)=CC)=O)1
M END
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