Mrv1652304282211382D 32 35 0 0 1 0 999 V2000 2.2534 6.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 6.2137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4653 5.4853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0281 4.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2036 4.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 4.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 5.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 3.9607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3136 3.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 2.7232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5991 2.3107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5129 1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 1.3186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3704 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4366 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 2.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 3.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 2.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 3.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 1.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 2.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 4.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 6.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1649 5.0481 0.0000 C 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 2 0 0 0 0 5 7 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 11 20 1 0 0 0 0 20 21 2 0 0 0 0 10 22 1 1 0 0 0 8 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 4 30 1 6 0 0 0 3 31 1 0 0 0 0 2 31 1 1 0 0 0 3 32 1 6 0 0 0 M END > NP0065414 > NP-MRD > C\C=C(/C)C(=O)O[C@H](C[C@@H](C)[C@H]1C[C@@H](OC1=O)C1=COC=C1)[C@@]1(C)C(=O)CC[C@H]2O[C@@]12C > InChI=1S/C25H32O7/c1-6-14(2)22(27)31-21(24(4)19(26)7-8-20-25(24,5)32-20)11-15(3)17-12-18(30-23(17)28)16-9-10-29-13-16/h6,9-10,13,15,17-18,20-21H,7-8,11-12H2,1-5H3/b14-6+/t15-,17-,18-,20-,21-,24-,25-/m1/s1 > BIFKZMRQMUVZIN-QTCIOXTCSA-N > C25H32O7 > 444.524 > 444.21480337 > 4 > 64 > 47.131309646669536 > 1 > 0 > 0 > 1 > (1R,3R)-1-[(1S,2R,6R)-1,2-dimethyl-3-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]-3-[(3R,5R)-5-(furan-3-yl)-2-oxooxolan-3-yl]butyl (2E)-2-methylbut-2-enoate > 3.75 > 4.590771729666665 > -4.24 > 1 > 4 > 0 > 17.646496933951557 > -2.8693108538743513 > 95.34 > 115.6995 > 8 > 1 > 2.58e-02 g/l > (1R,3R)-1-[(1S,2R,6R)-1,2-dimethyl-3-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]-3-[(3R,5R)-5-(furan-3-yl)-2-oxooxolan-3-yl]butyl (2E)-2-methylbut-2-enoate > 0 > NP0065414 > 6beta-Tigloyloxypyrrhopappolide $$$$