Mrv1652303302020072D 63 62 0 0 0 0 999 V2000 0.8250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 13.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 15.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 16.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 17.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 17.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 17.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 17.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 18.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 19.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 20.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 21.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 21.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 20.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 13.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 13.5749 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 7 6 1 4 0 0 0 7 8 2 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 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 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 33 32 1 4 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 36 35 1 4 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 39 38 1 4 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 21 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 53 1 4 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 57 56 1 4 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 60 59 1 4 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CDB001152 > CDB > CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC > InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-26,28-29,54H,4-6,9,12-15,18,22-23,27,30-53H2,1-3H3 > XAPLGDBVXAOWFP-UHFFFAOYSA-N > C57H96O6 > 877.3685 > 876.720690804 > 3 > 159 > 114.35925739185518 > 0 > 0 > 0 > 0 > 2-(octadec-11-enoyloxy)-3-(octadeca-9,12,15-trienoyloxy)propyl octadeca-9,12,15-trienoate > 10.51 > 19.058108077666667 > -8.21 > 0 > 0 > 0 > -6.565867985366706 > 78.9 > 276.7125 > 49 > 0 > 5.45e-06 g/l > 2-(octadec-11-enoyloxy)-3-(octadeca-9,12,15-trienoyloxy)propyl octadeca-9,12,15-trienoate > 0 > CDB001152 > TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))[iso3] $$$$