Mol:FL2FACNI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.9729 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 -1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4918 -0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2339 -0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2326 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8971 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2133 -0.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6116 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3027 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0140 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0345 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3228 1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6024 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2326 -2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 -2.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6576 1.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9648 1.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 1.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6922 -0.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4408 1.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2633 1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9778 2.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9778 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6922 1.2729 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
6 22 1 0 0 0 0
22 21 1 0 0 0 0
21 23 2 0 0 0 0
13 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
26 27 1 0 0 0 0
27 29 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
S SKP 8
ID FL2FACNI0018
KNApSAcK_ID C00014205
NAME Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone
CAS_RN 180318-50-7
FORMULA C22H22O8
EXACTMASS 414.13146768
AVERAGEMASS 414.40528000000006
SMILES C(=O)(C2)c(c(OC2c(c3)ccc(c3O)O)1)c(cc(O)c(CC=C(COC(C)=O)C)1)O
M END
