Mol:FL3FAANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-3.3734 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7987 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7987 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9482 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9482 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1950 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5914 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5914 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1950 0.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3347 0.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1950 -1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4844 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1005 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1005 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4844 1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6169 1.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7369 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3741 0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 0.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8416 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8416 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3347 0.4249 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
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
5 11 1 0 0 0 0
1 12 1 0 0 0 0
7 13 2 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL3FAANI0003
KNApSAcK_ID C00004020
NAME Kuwanone S;Kuwanon S; 2-[3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one;2-[3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 100187-67-5
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(c(O)3)c(c(c2c3)C(C=C(O2)c(c1)cc(CC=C(C)CCC=C(C)C)c(c1)O)=O)O
M END
