Mrv1652309052222582D 23 24 0 0 1 0 999 V2000 1.2564 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -1.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -2.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -2.2748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3590 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 -3.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -4.2117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0535 -5.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -5.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -6.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 -5.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 -2.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -1.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1956 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2064 -2.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 7 16 1 0 0 0 0 16 17 2 0 0 0 0 6 18 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 M END > NP0219847 > NP-MRD > CC(=O)CC[C@@H]1[C@H](OC(=O)C1=C)C1=C(C)[C@@H](CC1=O)OC(C)=O > InChI=1S/C17H20O6/c1-8(18)5-6-12-9(2)17(21)23-16(12)15-10(3)14(7-13(15)20)22-11(4)19/h12,14,16H,2,5-7H2,1,3-4H3/t12-,14+,16-/m0/s1 > PZAALKURFIAXND-BJJXKVORSA-N > C17H20O6 > 320.341 > 320.125988364 > 4 > 43 > 32.890796877841275 > 1 > 0 > 0 > 1 > (1R)-2-methyl-3-[(2S,3S)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]-4-oxocyclopent-2-en-1-yl acetate > 1.4418418380000009 > 0 > 2 > 0 > 19.47647466774318 > 17.780473790396773 > -6.443819060125554 > 86.74000000000001 > 80.6515 > 6 > 1 > (1R)-2-methyl-3-[(2S,3S)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]-4-oxocyclopent-2-en-1-yl acetate > 0 > NP0219847 > (1r)-2-methyl-3-[(2s,3s)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]-4-oxocyclopent-2-en-1-yl acetate $$$$