Mol:FL3FAANP0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.1034 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2449 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2449 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0515 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2837 0.9453 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
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
24 15 1 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 1 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL3FAANP0004
KNApSAcK_ID C00004093
NAME Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 144049-81-0
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(c13)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O
M END
</pre>
