Mol:FL4DCANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9244 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9244 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1591 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3618 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2817 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7817 1.6233 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
8 18 1 1 0 0 0
2 19 1 0 0 0 0
15 20 1 0 0 0 0
6 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 SVB 1 23 -2.2817 0.7573
S SKP 8
ID FL4DCANS0001
KNApSAcK_ID C00008556
NAME Aromadendrin 7-methyl ether
CAS_RN 37971-69-0
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)ccc(O)c2
M END
