Mol:FL5FGANS0007
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9474 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 1.0072 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
8 18 1 0 0 0 0
6 19 1 0 0 0 0
3 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
1 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 2.241 1.4197
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 -2.5983 0.7355
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 -2.9555 -0.4342
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 -2.1212 -1.0073
S SKP 8
ID FL5FGANS0007
KNApSAcK_ID C00004672
NAME Eriostemin
CAS_RN 40522-42-7
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(C(O2)=C(C(c(c3OC)c2c(c(c3OC)OC)O)=O)O)(c1)ccc(OC)c1
M END
</pre>
