Mrv1652309092222162D 26 25 0 0 1 0 999 V2000 3.8526 9.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 9.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8552 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2842 4.6993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2842 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7131 4.6993 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 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 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 1 0 0 0 0 19 20 2 0 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 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > NP0289874 > NP-MRD > CCCCC\C=C\C=C\C(=O)CCCCCCCC(=O)OC[C@@H](O)CO > InChI=1S/C21H36O5/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-21(25)26-18-20(24)17-22/h6,8,11,14,20,22,24H,2-5,7,9-10,12-13,15-18H2,1H3/b8-6+,14-11+/t20-/m0/s1 > JQIUXUDRBWTUPQ-CNXLTTEDSA-N > C21H36O5 > 368.514 > 368.256274259 > 4 > 62 > 44.53854873994496 > 1 > 2 > 0 > 1 > (2S)-2,3-dihydroxypropyl (10E,12E)-9-oxooctadeca-10,12-dienoate > 4.427861317333333 > 0 > 0 > 0 > 15.561713304317518 > 13.619245765321082 > -2.968684336972288 > 83.83000000000001 > 106.16079999999997 > 18 > 1 > (2S)-2,3-dihydroxypropyl (10E,12E)-9-oxooctadeca-10,12-dienoate > 0 > NP0289874 > (2s)-2,3-dihydroxypropyl (10e,12e)-9-oxooctadeca-10,12-dienoate $$$$