Mrv1652306242121113D 58 58 0 0 0 0 999 V2000 5.8477 1.9453 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3296 0.5291 0.4547 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6478 -0.4748 -0.4031 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1239 -0.4646 -0.2457 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7467 -0.7720 1.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2945 -0.7894 1.4559 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4643 -1.8294 0.8419 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3205 -1.9828 -0.5985 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7747 -0.9728 -1.5018 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6409 -0.6349 -1.4486 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2042 -0.0270 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 0.4013 0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 0.0871 -0.1347 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3332 -0.3817 -1.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1581 1.4130 0.3730 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5715 2.5105 -0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 3.4097 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 4.5936 -1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 3.2171 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 1.3699 1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 0.1144 2.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 -0.7920 1.0563 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5301 -0.9664 0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1803 -2.1821 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6506 -2.1925 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -3.2273 0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 2.1168 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 2.0158 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 2.6174 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 0.3484 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4159 0.5132 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9291 -0.3566 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -1.4800 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 -1.1690 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 0.5559 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 -0.0498 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 -1.7646 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8824 0.2616 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 -0.9852 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -1.9238 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9081 -2.8573 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -2.5692 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -2.8828 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 -0.0068 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 -1.2689 -2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 -1.5724 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 0.0582 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3929 -1.3671 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 1.4506 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7823 5.2213 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 4.3294 -2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 5.2336 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 2.2805 2.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -0.2233 3.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 -1.7158 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8827 -2.6405 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0878 -1.1826 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0836 -2.8884 1.3978 H 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 3 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 22 13 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 1 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 1 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 M END > NP0005257 > NP-MRD > [H]OC1(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])=C([H])[C@@]1([H])OC(=O)C([H])([H])[H] > InChI=1S/C20H32O6/c1-4-5-6-7-8-9-10-11-12-17(23)20(24)18(25-15(2)21)13-14-19(20)26-16(3)22/h13-14,18-19,24H,4-12H2,1-3H3/t18-,19-/m1/s1 > KPDNTYDVDDCAHZ-XEVCZEQESA-N > C20H32O6 > 368.47 > 368.21988875 > 4 > 58 > 40.81394300411395 > 1 > 1 > 0 > 1 > (1R,4R)-4-(acetyloxy)-5-hydroxy-5-undecanoylcyclopent-2-en-1-yl acetate > 3.88 > 3.8113028150000003 > -4.83 > 0 > 1 > 0 > 18.052260319119043 > 11.074500249847572 > -4.5158135092401155 > 89.9 > 97.6195 > 14 > 1 > 5.48e-03 g/l > (1R,4R)-4-(acetyloxy)-5-hydroxy-5-undecanoylcyclopent-2-en-1-yl acetate > 0 > NP0005257 > 1,4-di-O-acetyl hygrophorone E10 $$$$