Mrv1652306242119523D 32 33 0 0 0 0 999 V2000 4.6545 0.1994 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -0.2855 -0.7200 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4404 -0.8072 0.3820 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1758 -1.2704 -0.3151 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1607 -1.8133 0.6243 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1642 -1.1576 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -1.7584 0.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 -1.1390 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4595 -1.7606 1.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 0.1033 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4056 0.7523 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 2.0155 -0.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 2.6456 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2164 0.0996 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 0.7336 -0.5119 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7621 -0.2637 -1.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4287 -0.6031 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 1.1325 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 0.3588 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 0.5613 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 -1.0916 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -1.6356 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 -0.0019 1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 -2.1277 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -1.6289 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.9092 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4868 0.6195 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 2.0235 -1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 3.6815 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 2.6521 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 1.1243 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 1.5509 -1.2232 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 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 4 1 0 0 0 0 14 6 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 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 6 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 10 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 M END > NP0014014 > NP-MRD > [H]C1=C(OC([H])([H])[H])C2=C(OC1=O)C([H])([H])[C@@]([H])(OC2([H])[H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C12H16O4/c1-3-4-8-5-11-9(7-15-8)10(14-2)6-12(13)16-11/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1 > MTOZXGOYXQPCBP-QMMMGPOBSA-N > C12H16O4 > 224.256 > 224.104858995 > 3 > 32 > 23.952281215709778 > 1 > 0 > 0 > 1 > (7S)-4-methoxy-7-propyl-2H,5H,7H,8H-pyrano[3,2-c]pyran-2-one > 1.92 > 1.182918583333333 > -2.15 > 0 > 2 > 0 > -4.094735208563459 > 44.760000000000005 > 61.057600000000015 > 3 > 1 > 1.57e+00 g/l > (7S)-4-methoxy-7-propyl-5H,7H,8H-pyrano[3,2-c]pyran-2-one > 0 > NP0014014 > Phomopsinone A $$$$