Mrv1652306242106093D 28 27 0 0 0 0 999 V2000 -3.5298 -0.1809 1.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 0.1050 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -0.0991 1.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 0.5596 -0.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 0.8820 -1.3843 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2824 -0.2092 -2.0759 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2608 -1.0293 -1.4037 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9166 -0.2267 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 0.9524 -1.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -0.9917 -0.2320 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0458 -0.1818 0.1762 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 0.8699 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9811 1.7143 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 1.0573 1.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2957 0.5944 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8792 -1.2068 1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1244 -0.0702 2.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 1.7150 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 1.3624 -2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -0.9063 -2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.2604 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 -1.7542 -2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 -1.7427 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 -1.7381 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 -1.5554 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 1.8452 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 2.6948 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 1.2571 2.3012 H 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 2 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 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M END > NP0008400 > NP-MRD > [H]C([H])([H])C(=O)OC([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])OC(=O)C([H])([H])[H] > InChI=1S/C9H14O5/c1-7(10)13-5-3-4-9(12)6-14-8(2)11/h3-6H2,1-2H3 > CHRQLZIOLBJDEY-UHFFFAOYSA-N > C9H14O5 > 202.206 > 202.084123551 > 3 > 28 > 19.914103421519016 > 1 > 0 > 0 > 1 > 5-(acetyloxy)-2-oxopentyl acetate > 0.23 > -0.12029152166666687 > -1.47 > 0 > 0 > 0 > 17.23746012718663 > -6.675063672628092 > 69.67000000000002 > 47.3566 > 8 > 1 > 6.79e+00 g/l > 5-(acetyloxy)-2-oxopentyl acetate > 0 > NP0008400 > Catathelasmol C $$$$