Mrv1652309032204372D 39 40 0 0 1 0 999 V2000 0.4441 -6.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -6.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -7.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -6.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9592 -6.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 -9.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -8.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3289 -3.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3895 -3.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7075 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3202 -1.6212 0.0000 O 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 5 4 1 1 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 6 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 19 20 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 29 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 6 0 0 0 M END > NP0167095 > NP-MRD > CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CCC(C)=CC[C@@H](O)\C=C(/C)C(=O)C[C@@H]1[C@@](C)(O)C=CC(=O)C1(C)C > InChI=1S/C32H50O7/c1-20(11-13-25-29(4,5)28(37)15-17-32(25,9)39-22(3)33)10-12-23(34)18-21(2)24(35)19-26-30(6,7)27(36)14-16-31(26,8)38/h10,14,16,18,23,25-26,28,34,37-38H,11-13,15,17,19H2,1-9H3/b20-10?,21-18+/t23-,25+,26+,28+,31+,32+/m1/s1 > OAMZYQFNMGCDQI-FKUQJTJISA-N > C32H50O7 > 546.745 > 546.35565395 > 6 > 89 > 62.52166261671488 > 0 > 3 > 0 > 0 > (1S,2S,4S)-4-hydroxy-2-[(6R,7E)-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]-3,8-dimethyl-9-oxodeca-3,7-dien-1-yl]-1,3,3-trimethylcyclohexyl acetate > 4.32 > 4.680988498666665 > -5.40 > 0 > 2 > 0 > 14.610203301093986 > 14.07340666382229 > -2.8917080965470197 > 121.13000000000001 > 155.1292 > 11 > 0 > 2.16e-03 g/l > (1S,2S,4S)-4-hydroxy-2-[(6R,7E)-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]-3,8-dimethyl-9-oxodeca-3,7-dien-1-yl]-1,3,3-trimethylcyclohexyl acetate > 0 > NP0167095 > (1s,2s,4s)-4-hydroxy-2-[(6r,7e)-6-hydroxy-10-[(1s,2s)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]-3,8-dimethyl-9-oxodeca-3,7-dien-1-yl]-1,3,3-trimethylcyclohexyl acetate $$$$