Mrv0541 02241203532D 76 77 0 0 0 0 999 V2000 15.7658 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4803 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1948 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9093 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6238 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3382 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0527 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7672 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4816 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1961 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9106 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6251 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3396 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0540 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7685 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0514 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3369 -12.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0514 -10.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7658 -11.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6224 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3369 -13.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0514 -13.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0514 -14.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7658 -13.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4803 -13.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1948 -13.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9092 -13.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6238 -13.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3382 -13.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0527 -13.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7672 -13.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4816 -13.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1961 -13.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9106 -13.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6250 -13.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3396 -13.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0540 -13.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7685 -13.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4830 -13.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1975 -13.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9119 -13.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6265 -13.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3409 -13.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0554 -13.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7699 -13.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4844 -13.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1988 -13.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9133 -13.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7547 -13.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -12.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1935 -11.7866 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 -11.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -11.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7809 -12.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -10.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 -10.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1935 -10.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 -9.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1935 -9.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -8.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -10.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8769 -9.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -8.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0501 -8.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -10.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1935 -7.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1935 -6.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -8.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6224 -7.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6225 -6.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -8.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3370 -8.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3370 -6.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 -5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6225 -5.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 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 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 1 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 1 1 0 0 0 0 20 17 1 0 0 0 0 21 17 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 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 24 1 0 0 0 0 50 20 1 0 0 0 0 52 51 2 0 0 0 0 53 51 1 0 0 0 0 54 51 1 0 0 0 0 50 51 1 0 0 0 0 56 55 1 0 0 0 0 57 55 1 0 0 0 0 58 56 1 0 0 0 0 59 57 1 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 53 55 1 0 0 0 0 61 57 1 0 0 0 0 62 59 1 0 0 0 0 63 60 1 0 0 0 0 64 58 1 0 0 0 0 65 56 1 0 0 0 0 67 66 1 0 0 0 0 68 66 1 0 0 0 0 69 67 1 0 0 0 0 70 68 1 0 0 0 0 71 69 1 0 0 0 0 71 70 1 0 0 0 0 63 66 1 0 0 0 0 72 68 1 0 0 0 0 73 70 1 0 0 0 0 74 71 1 0 0 0 0 75 69 1 0 0 0 0 76 75 1 0 0 0 0 M END > BMDB0012257 > bmdb > CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC > InChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-50(66)48(64)53(49(65)51(54)67)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71) > ZKFACHLEPWMTPW-UHFFFAOYSA-N > C56H110NO18P > 1116.4423 > 1115.746052233 > 16 > 132.4305789198467 > 0 > 13 > 0 > 0 > {[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acid > 5.83 > 8.791212925000004 > -5.50 > 0 > 2 > -1 > 11.961312991699632 > 1.8429067030880533 > -3.653626817443822 > 325.85 > 288.9589999999999 > 48 > 0 > 3.54e-03 g/l > [3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxyphosphinic acid > 0 > BMDB0012257 > Mannosyl-inositol-phosphorylceramide $$$$