Mrv0541 02241203502D 69 68 0 0 0 0 999 V2000 0.8211 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9658 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6804 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3948 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1093 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8238 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1093 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5383 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2527 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9672 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6817 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9672 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3962 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1107 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8251 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5396 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8251 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2541 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9686 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6831 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3975 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6831 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1120 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8265 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5409 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2554 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5409 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9699 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6844 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3989 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1133 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3989 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8278 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5423 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2568 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9713 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2568 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6858 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1147 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8292 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1147 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5436 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2582 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9726 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6871 -17.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9726 -15.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4016 -16.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1160 -17.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8305 -16.7501 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 35.4180 -16.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5450 -16.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2430 -17.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5450 -15.5126 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 37.3700 -15.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7200 -15.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5450 -14.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 2 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 2 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 2 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 60 58 1 0 0 0 0 61 60 1 0 0 0 0 63 62 2 0 0 0 0 64 62 1 0 0 0 0 65 62 1 0 0 0 0 61 62 1 0 0 0 0 67 66 2 0 0 0 0 68 66 1 0 0 0 0 69 66 1 0 0 0 0 64 66 1 0 0 0 0 M END > CHEM040717 > chemdb > CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O > InChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+ > WURMRKUXTPWSRM-GNZYJLLNSA-N > C60H100O7P2 > 995.3793 > 994.694428578 > 5 > 124.60047585967473 > 0 > 3 > 0 > 0 > [({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid > 9.58 > 18.554161535666665 > -6.42 > 0 > 0 > -2 > 3.1843406094078315 > 1.7672186885241006 > 113.29000000000002 > 310.9538999999999 > 38 > 0 > 3.83e-04 g/l > {[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid > 0 > Dodecaprenyl diphosphate $$$$