Mol:FL4DDANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2407 0.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2802 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6391 -1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0719 -2.1942 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
2 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 1 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 0.6391 -1.2927
S SKP 8
ID FL4DDANS0001
KNApSAcK_ID C00008554
NAME Aromadendrin 3-methyl ether
CAS_RN 97231-20-4
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES CO[C@@H](C(=O)2)[C@H](Oc(c3)c(c(O)cc(O)3)2)c(c1)ccc(O)c1
M END
