Mrv1652309032222232D 14 13 0 0 0 0 999 V2000 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > NP0181805 > NP-MRD > CC(=O)OCCCC(O)COC(C)=O > InChI=1S/C9H16O5/c1-7(10)13-5-3-4-9(12)6-14-8(2)11/h9,12H,3-6H2,1-2H3 > IINLCSVXAQHGFW-UHFFFAOYSA-N > C9H16O5 > 204.222 > 204.099773615 > 3 > 30 > 21.60317478442471 > 1 > 1 > 0 > 1 > 5-(acetyloxy)-2-hydroxypentyl acetate > -0.3794407920000003 > 0 > 0 > 0 > 14.439405010925633 > -3.0440042482211274 > 72.83000000000001 > 48.329100000000004 > 8 > 1 > 5-(acetyloxy)-2-hydroxypentyl acetate > 0 > NP0181805 > 5-(acetyloxy)-2-hydroxypentyl acetate $$$$