Mrv1652309052217302D 9 8 0 0 0 0 999 V2000 2.4750 1.4289 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 0.0000 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 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 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 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 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 M END > NP0215785 > NP-MRD > CC(O)CC=CC(O)=O > InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2,4-5,7H,3H2,1H3,(H,8,9) > XQOCAGXQSXUMHJ-UHFFFAOYSA-N > C6H10O3 > 130.143 > 130.062994182 > 3 > 19 > 13.085047629739421 > 1 > 2 > 0 > 0 > 5-hydroxyhex-2-enoic acid > 0.34404736033333305 > 0 > 0 > -1 > 17.715052043662507 > 4.7554321733960085 > -1.6112364664139145 > 57.53 > 33.9134 > 3 > 1 > 5-hydroxyhex-2-enoic acid > 0 > NP0215785 > 5-hydroxyhex-2-enoic acid $$$$