PE(12:0(3-OH)/19:0cycw7) Mrv1652308101903232D 48 48 0 0 1 0 999 V2000 19.3839 -5.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7088 -5.9135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0337 -5.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0590 -5.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3586 -5.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1819 -6.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7340 -5.5239 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.3443 -4.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1238 -6.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4092 -5.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0843 -5.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7594 -5.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4345 -5.5239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2965 -6.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6440 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6440 -4.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9299 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2157 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2157 -4.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5016 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3593 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6452 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5028 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7887 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4675 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4675 -7.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7534 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0392 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6110 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8969 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7545 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3263 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6122 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4698 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0416 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 5 15 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 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 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 29 6 1 0 0 0 0 29 30 2 0 0 0 0 29 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 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 M END > M2MDB003859 > M2MDB > [H][C@@](COC(=O)CC(O)CCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCC1CC1CCCCCC > InChI=1S/C36H70NO9P/c1-3-5-7-9-11-15-19-23-33(38)28-36(40)43-29-34(30-45-47(41,42)44-26-25-37)46-35(39)24-20-16-13-10-12-14-18-22-32-27-31(32)21-17-8-6-4-2/h31-34,38H,3-30,37H2,1-2H3,(H,41,42)/t31?,32?,33?,34-/m1/s1 > MDRKLIMSHVDVOV-NQLXYCMNSA-N > C36H70NO9P > 691.928 > 691.478819836 > 6 > 117 > 82.72119688527137 > 0 > 3 > 0 > 0 > (2-aminoethoxy)[(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(3-hydroxydodecanoyl)oxy]propoxy]phosphinic acid > 6.63 > 7.996710586702927 > -6.61 > 0 > 1 > 0 > 15.00011509166211 > 1.8688003136232716 > 9.999924995252952 > 154.60999999999999 > 186.0114 > 36 > 0 > 1.69e-04 g/l > 2-aminoethoxy((2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(3-hydroxydodecanoyl)oxy]propoxy)phosphinic acid > 0 > ECMDB23469 > PE(12:0(3-OH)/19:0cycv8c) $$$$