Mrv1652306242117483D 37 36 0 0 0 0 999 V2000 6.0744 -0.3456 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9323 -0.8062 -1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6186 -0.1811 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -0.6379 0.5537 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4499 0.4935 0.6605 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3522 -0.0501 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 -0.1023 2.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -0.5549 0.8370 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9089 0.5617 0.9412 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1812 0.8725 2.2539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 0.0880 0.1705 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1536 1.1824 0.2651 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3434 0.7966 -0.4501 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 -0.3585 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2823 -0.7724 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 -1.0829 0.9257 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1407 -1.0038 -3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 -0.3389 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 0.7033 -2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3337 -1.6750 -1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1757 0.6790 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -1.4948 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8715 -0.9052 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0601 0.7501 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 1.4034 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 -0.7308 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 -1.4736 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 1.4481 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 0.1306 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 0.0830 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4528 -0.9017 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7791 2.1485 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 1.3068 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6929 1.3472 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 -1.0655 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6495 0.0600 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0677 -1.6140 -1.4792 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 6 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 M END > NP0003596 > NP-MRD > [H]O[C@@]([H])(C([H])([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H] > InChI=1S/C12H21NO3/c1-3-4-5-6-11(15)9-12(16)7-8-13-10(2)14/h3-4,12,16H,5-9H2,1-2H3,(H,13,14)/b4-3+/t12-/m1/s1 > XFSIAYMJZYMMLV-ONEGZZNKSA-N > C12H21NO3 > 227.304 > 227.15214354 > 3 > 37 > 26.055121096780585 > 1 > 2 > 0 > 1 > N-[(3R,8E)-3-hydroxy-5-oxodec-8-en-1-yl]acetamide > 1.01 > 0.33995428733333344 > -1.96 > 0 > 0 > 0 > 16.028611406244945 > 14.976692166935013 > -1.418860133013108 > 66.4 > 64.0721 > 8 > 1 > 2.51e+00 g/l > N-[(3R,8E)-3-hydroxy-5-oxodec-8-en-1-yl]acetamide > 0 > NP0003596 > Streptenol E $$$$