Mol:BMCCPTPTf017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 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
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 S 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
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 S 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
4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 16 1 1 0 0 0
9 8 1 0 0 0 0
9 10 1 0 0 0 0
8 7 1 0 0 0 0
8 15 1 6 0 0 0
10 12 1 0 0 0 0
7 11 1 0 0 0 0
3 14 1 1 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
2 1 1 0 0 0 0
2 13 1 6 0 0 0
4 6 1 0 0 0 0
1 5 1 0 0 0 0
11 6 1 0 0 0 0
S SKP 7
ID BMCCPTPTf017
NAME (2S,3R) -1- [(2R,3S) -2,3-Dihydroxy-4-sulfanylbutyl] disulfanyl-4-sulfanylbutane-2,3-diol
CAS_RN 51621-02-4
FORMULA C8H18O4S4
EXACTMASS 306.0087
AVERAGEMASS 306.4901
SMILES SC[C@@H](O)[C@@H](O)CSSC[C@@H](O)[C@@H](O)CS
M END
