Mol:FL3FG8NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.7744 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3781 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1549 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6628 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2507 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1391 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5355 -3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7213 -2.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9255 -4.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8119 -4.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1967 -5.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6951 -4.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4735 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3074 -3.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 -1.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9140 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2195 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4765 -2.9951 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
17 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -0.766 1.0455
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.3149 -0.3996
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.9576 0.77
S SKP 8
ID FL3FG8NS0003
KNApSAcK_ID C00003875
NAME Tenaxin I
CAS_RN 86926-52-5
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES O(C(c(c3)c(O)ccc3)=2)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O
M END
