Mol:FL5FAEGL0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.7830 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6704 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6704 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5577 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5577 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 0.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0904 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1358 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4936 -1.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2436 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6313 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8858 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1546 -0.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1826 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3939 0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6991 1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 -1.8683 0.0000 O 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
3 28 1 0 0 0 0
1 29 1 0 0 0 0
16 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
22 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -4.6251 5.7035
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SBV 2 36 -4.7561 5.3825
S SKP 8
ID FL5FAEGL0001
KNApSAcK_ID C00005591
NAME Tamarixin
CAS_RN 27542-29-8
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(CO)2)O)O)OC
M END
</pre>
