Mol:BMMCBZ4SS601
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 1 0 0 0 0 0999 V2000
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12 7 1 0 0 0 0
12 11 2 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 21 1 0 0 0 0
11 25 1 0 0 0 0
25 26 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
10 24 1 0 0 0 0
1 19 1 0 0 0 0
5 19 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 24 1 6 0 0 0
5 6 1 0 0 0 0
6 20 1 0 0 0 0
4 18 1 1 0 0 0
2 16 1 1 0 0 0
3 17 1 6 0 0 0
S SKP 7
ID BMMCBZ4SS601
NAME Syringin
FORMULA C17H24O9
EXACTMASS 372.142
AVERAGEMASS 372.367
SMILES OCC=Cc(c1)cc(OC)c(O[C@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2)c(OC)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01533
M END
