Mrv1533004161506482D 33 32 0 0 0 0 999 V2000 -0.1841 -12.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 -11.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9901 -11.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -12.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 -11.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0807 -12.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -12.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -12.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2549 -12.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9238 -12.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6764 -12.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 -12.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 -12.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7670 -13.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5196 -12.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1886 -13.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9412 -12.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0248 -12.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6102 -13.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3628 -12.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0317 -13.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7843 -13.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4464 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1990 -11.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 -11.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9342 -11.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1816 -11.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 -10.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 -13.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5092 -14.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2618 -13.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -14.8497 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 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 0 0 0 0 14 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 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 11 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > NP0144414 > NP-MRD > CCCCCCCCCCC(CCCCC(CC(=O)OC(CO)CO)OC(C)=O)OC(C)=O > InChI=1S/C25H46O8/c1-4-5-6-7-8-9-10-11-14-22(31-20(2)28)15-12-13-16-23(32-21(3)29)17-25(30)33-24(18-26)19-27/h22-24,26-27H,4-19H2,1-3H3 > SJBUXJQJJMXBRF-UHFFFAOYSA-N > C25H46O8 > 474.635 > 474.319268441 > 5 > 79 > 55.82046308385145 > 1 > 2 > 0 > 0 > 1,3-dihydroxypropan-2-yl 3,8-bis(acetyloxy)octadecanoate > 4.58 > 4.235898436333333 > -5.06 > 0 > 0 > 0 > 14.979617396788388 > 14.278370867040358 > -2.9827700626531204 > 119.36000000000001 > 124.79749999999999 > 24 > 1 > 4.15e-03 g/l > 1,3-dihydroxypropan-2-yl 3,8-bis(acetyloxy)octadecanoate > 0 > NP0144414 > 1,3-dihydroxypropan-2-yl 3,8-bis(acetyloxy)octadecanoate $$$$