Mol:FL2FA9NM0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.4198 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
1 18 1 0 0 0 0
6 19 1 0 0 0 0
2 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -8.5263 5.8137
S SKP 8
ID FL2FA9NM0009
KNApSAcK_ID C00008180
NAME (+)-6,8-Di-C-methylpinocembrin 5-methyl ether
CAS_RN 83247-72-7
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1O)C)OC
M END
