Mrv1652309022216112D 47 48 0 0 1 0 999 V2000 17.9340 9.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7009 8.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8990 8.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6659 7.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8640 7.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6309 6.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8290 6.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5960 5.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7941 5.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5610 4.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 4.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 4.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7241 3.8097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1553 4.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4910 3.0183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9942 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5280 1.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7366 1.9170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0829 1.4138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3202 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1918 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5381 0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7754 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1217 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7053 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 -0.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -0.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 -0.6224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8560 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 0.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 0.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6471 -0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4098 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0635 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5187 -1.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 2.7417 0.0000 O 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 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 15 13 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 1 0 0 0 19 21 1 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 36 41 1 0 0 0 0 41 42 2 0 0 0 0 22 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 18 47 1 0 0 0 0 15 47 1 0 0 0 0 M END > NP0156912 > NP-MRD > CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CC(CCCCC(O)CCCCCCCC1=C[C@H](C)OC1=O)OC(C)=O > InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-11-15-18-25-35(42)37-26-27-38(47-37)36(43)29-34(46-31(3)40)24-20-19-23-33(41)22-17-14-12-13-16-21-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30-,33?,34?,35+,36+,37+,38+/m0/s1 > VIGZEOWQMKUZQP-XLFOVRCYSA-N > C39H70O8 > 666.981 > 666.507069214 > 6 > 117 > 83.34208739198381 > 0 > 3 > 0 > 0 > (1R)-1,8-dihydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-[(5S)-5-methyl-2-oxo-2,5-dihydrofuran-3-yl]pentadecan-3-yl acetate > 7.21 > 8.963723372333332 > -6.06 > 0 > 2 > 0 > 13.962241106295814 > 13.320495354957657 > -1.2743082907131829 > 122.52000000000002 > 187.6531 > 30 > 0 > 5.75e-04 g/l > (1R)-1,8-dihydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-[(5S)-5-methyl-2-oxo-5H-furan-3-yl]pentadecan-3-yl acetate > 0 > NP0156912 > (1r)-1,8-dihydroxy-1-[(2r,5r)-5-[(1r)-1-hydroxytridecyl]oxolan-2-yl]-15-[(5s)-5-methyl-2-oxo-5h-furan-3-yl]pentadecan-3-yl acetate $$$$