Mrv1652307092019122D 39 39 0 0 0 0 999 V2000 9989.0063 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9988.2920 9991.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9989.7206 9991.1402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9987.5777 9990.7288 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9990.5519 9991.1402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9990.1362 9991.8548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9986.8630 9991.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9987.9910 9990.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9987.1660 9990.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9991.2662 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9990.1362 9992.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9990.9347 9992.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9986.1487 9990.7288 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9991.9810 9991.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9990.8507 9993.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9986.5601 9990.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9985.4303 9991.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9985.7353 9990.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9992.6961 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.9810 9991.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.5650 9992.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.4114 9991.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.2799 9993.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.1265 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.9950 9992.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.2799 9993.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.8396 9991.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.7102 9993.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.5548 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.8396 9991.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.4253 9992.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.2700 9991.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.1385 9993.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.9831 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.8537 9992.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.1385 9993.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.6983 9991.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.4113 9990.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.6983 9991.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 6 0 0 0 2 4 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 0 0 0 0 6 12 1 6 0 0 0 7 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 19 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 3 6 1 0 0 0 0 3 5 1 0 0 0 0 6 5 1 0 0 0 0 M END > CDB005314 > CDB > CC(C)=CCC\C(C)=C\CC\C(C)=C\[C@H]1[C@H](COP(O)(=O)OP(O)(O)=O)[C@@]1(C)CC\C=C(/C)CCC=C(C)C > InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1 > ATZKAUGGNMSCCY-VYCBRMPGSA-N > C30H52O7P2 > 586.6772 > 586.318827042 > 5 > 91 > 66.29502667605244 > 0 > 3 > 0 > 0 > [({[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid > 5.31 > 8.000155052 > -5.71 > 0 > 1 > -2 > 3.2199490762788217 > 1.778452826766597 > 113.28999999999999 > 165.33240000000004 > 18 > 0 > 1.14e-03 g/l > presqualene diphosphate > 0 > CDB005314 > Presqualene diphosphate $$$$