68 -OEChem-03282404422D 28 28 0 1 0 0 0 0 0999 V2000 4.7119 -0.8044 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4190 0.9027 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.7119 -0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 -1.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 -1.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 0.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -0.0973 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0048 0.9027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2977 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 1.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 -0.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -1.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 1.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 0.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 -0.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 -0.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 -2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -1.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9657 2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END > 68 > 1 > 356 > 9 > 4 > 1 > AAADccBgPAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAASAAAAAAAAGgAACCAADFSggAICAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAAAAAAAQAAFAAABAABAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol > 2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol > 2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol > 2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol > 6-(hydroxymethyl)-6-methyl-2,4-bis(oxidanyl)-2,4-bis(oxidanylidene)-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol > 2,4-dihydroxy-2,4-diketo-6-methyl-6-methylol-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol > InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11) > SFRQRNJMIIUYDI-UHFFFAOYSA-N > -2.8 > 277.99565595 > C5H12O9P2 > 278.09 > CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO > CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO > 143 > 277.99565595 > 0 > 16 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 3 13 5 3 $$$$