Mol:FL6FA9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.6016 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 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
3 17 1 0 0 0 0
17 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 19 20
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -2.1362 0.7355
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -1.6591 -1.0073
S SKP 8
ID FL6FA9NS0002
KNApSAcK_ID C00008751
NAME Tephrowatsin E
CAS_RN 97640-83-0
FORMULA C17H18O3
EXACTMASS 270.12559444199997
AVERAGEMASS 270.32302
SMILES COc(c1)cc(O2)c(CC[C@H]2c(c3)cccc3)c(OC)1
M END
