Mol:FL4DABNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.2001 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3148 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.9515 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
15 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 -7.8764 5.0021
S SKP 8
ID FL4DABNS0001
KNApSAcK_ID C00008557
NAME Aromadendrin 4'-methyl ether
CAS_RN 3570-69-2
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
