Mrv0541 10101211162D 85 85 0 0 0 0 999 V2000 8.5737 -23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -20.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -21.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -20.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -2.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -18.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -18.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -20.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -16.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -15.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -12.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 15 1 0 0 0 0 28 15 1 0 0 0 0 29 16 1 0 0 0 0 30 16 1 0 0 0 0 31 17 1 0 0 0 0 32 17 1 0 0 0 0 33 18 1 0 0 0 0 34 18 1 0 0 0 0 35 19 1 0 0 0 0 36 19 1 0 0 0 0 37 20 1 0 0 0 0 38 20 1 0 0 0 0 39 21 1 0 0 0 0 40 21 1 0 0 0 0 41 22 1 0 0 0 0 42 22 1 0 0 0 0 44 43 1 0 0 0 0 47 1 1 0 0 0 0 47 2 1 0 0 0 0 47 23 2 0 0 0 0 48 3 1 0 0 0 0 48 24 1 0 0 0 0 48 25 2 0 0 0 0 49 4 1 0 0 0 0 49 26 1 0 0 0 0 49 27 2 0 0 0 0 50 5 1 0 0 0 0 50 28 1 0 0 0 0 50 29 2 0 0 0 0 51 6 1 0 0 0 0 51 30 1 0 0 0 0 51 31 2 0 0 0 0 52 7 1 0 0 0 0 52 32 1 0 0 0 0 52 33 2 0 0 0 0 53 8 1 0 0 0 0 53 34 1 0 0 0 0 53 35 2 0 0 0 0 54 9 1 0 0 0 0 54 36 1 0 0 0 0 54 37 2 0 0 0 0 55 10 1 0 0 0 0 55 38 1 0 0 0 0 55 39 2 0 0 0 0 56 11 1 0 0 0 0 56 40 1 0 0 0 0 56 41 2 0 0 0 0 57 12 1 0 0 0 0 57 42 1 0 0 0 0 57 43 2 0 0 0 0 58 45 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 46 2 0 0 0 0 58 62 1 1 0 0 0 46 63 1 4 0 0 0 59 64 1 1 0 0 0 60 65 1 6 0 0 0 68 45 1 0 0 0 0 68 61 1 0 0 0 0 69 44 1 0 0 0 0 61 70 1 1 0 0 0 71 66 1 0 0 0 0 71 67 2 0 0 0 0 71 69 1 0 0 0 0 71 70 1 0 0 0 0 72 25 1 0 0 0 0 73 27 1 0 0 0 0 74 29 1 0 0 0 0 75 31 1 0 0 0 0 76 33 1 0 0 0 0 77 35 1 0 0 0 0 78 37 1 0 0 0 0 79 39 1 0 0 0 0 80 41 1 0 0 0 0 81 43 1 0 0 0 0 58 82 1 6 0 0 0 59 83 1 6 0 0 0 60 84 1 1 0 0 0 61 85 1 6 0 0 0 M END > M2MDB003490 > M2MDB > OC=N[C@@]1([H])CO[C@@]([H])(OP(O)(=O)OC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(\C)CC\C([H])=C(/C)CC\C([H])=C(/C)CCC=C(C)C)[C@@](O)([H])[C@]1(O)[H] > InChI=1S/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/s1 > KDTATMYQJZYGGT-CRHUQJHVSA-N > C61H100NO8P > 1006.4224 > 1005.718655693 > 7 > 116.20804476919045 > 0 > 4 > 0 > 0 > N-[(3S,4S,5R,6S)-4,5-dihydroxy-6-{[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy}oxan-3-yl]carboximidic acid > 9.18 > 15.215309716147365 > -6.13 > 0 > 1 > -1 > 7.289518483374454 > 1.4715882010137 > 2.8214412046766224 > 138.04000000000002 > 309.5928 > 36 > 0 > 7.51e-04 g/l > N-[(3S,4S,5R,6S)-4,5-dihydroxy-6-({hydroxy[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxyphosphoryl}oxy)oxan-3-yl]carboximidic acid > 0 > ECMDB23100 > 4-Amino-4-deoxy-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate $$$$