Mol:FL3F1ANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.5907 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9437 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9437 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 -2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7161 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7161 1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 1.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8366 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7267 0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7404 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2675 2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8132 1.8044 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 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 3 1 0 0 0 0
7 11 2 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
12 9 1 0 0 0 0
15 18 1 0 0 0 0
19 5 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL3F1ANI0003
KNApSAcK_ID C00011117
NAME Brosimacutin F;8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 350221-42-0
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1
M END
