Mrv1652309092203002D 13 12 0 0 1 0 999 V2000 4.5375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > NP0276736 > NP-MRD > CC[C@H](O)C#CC#C[C@@H](O)CCO > InChI=1S/C10H14O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h9-13H,2,7-8H2,1H3/t9-,10+/m0/s1 > GIEADOWOBSYCOK-VHSXEESVSA-N > C10H14O3 > 182.219 > 182.094294311 > 3 > 27 > 20.85438354474603 > 1 > 3 > 0 > 1 > (3S,8S)-deca-4,6-diyne-1,3,8-triol > 0.10773112533333339 > 0 > 0 > 0 > 14.195113361047863 > 13.279168824888792 > -2.424076955136239 > 60.69 > 51.451100000000004 > 6 > 1 > (3S,8S)-deca-4,6-diyne-1,3,8-triol > 0 > NP0276736 > (3s,8s)-deca-4,6-diyne-1,3,8-triol $$$$