m1087 Mrv1572012151519572D 46 46 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 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 8.0746 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3605 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6463 -5.5010 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 16.0392 -7.8771 0.0000 O 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 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 19 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 24 26 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 6 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 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 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 M END > M2MDB003889 > M2MDB > [H][C@@](COC(=O)CCCCCCCC1CC1CCCC)(COP(O)(=O)OCCN)OC(=O)CC(O)CCCCCCCCCCC > InChI=1S/C34H66NO9P/c1-3-5-7-8-9-10-11-14-17-21-31(36)26-34(38)44-32(28-43-45(39,40)42-24-23-35)27-41-33(37)22-18-15-12-13-16-20-30-25-29(30)19-6-4-2/h29-32,36H,3-28,35H2,1-2H3,(H,39,40)/t29?,30?,31?,32-/m1/s1 > LOGAHLCRICZMSC-KIHBOBKYSA-N > C34H66NO9P > 663.874 > 663.447519707 > 6 > 111 > 78.1840825506928 > 0 > 3 > 0 > 0 > (2-aminoethoxy)[(2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-[(3-hydroxytetradecanoyl)oxy]propoxy]phosphinic acid > 6.06 > 7.107573256702938 > -6.39 > 0 > 1 > 0 > 15.000097951546987 > 1.8688003132175717 > 9.999924995081619 > 154.60999999999999 > 176.80939999999998 > 34 > 0 > 2.73e-04 g/l > 2-aminoethoxy((2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-[(3-hydroxytetradecanoyl)oxy]propoxy)phosphinic acid > 0 > ECMDB23499 > PE(15:0cyclo/14:0(3-OH)) $$$$