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