Mol:FL3FACNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.0717 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 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 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
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL3FACNI0004
KNApSAcK_ID C00013420
NAME Epimedokoreanin B;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 161068-53-7
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(=C(C)C)Cc(c1)c(c(O)cc1C(=C3)Oc(c(C(=O)3)2)c(c(O)cc2O)CC=C(C)C)O
M END
