Mrv0541 02241205472D 71 80 0 0 0 0 999 V2000 6.3732 -5.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -4.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 -4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9129 -4.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -3.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -2.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 -3.3461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8114 -3.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4848 -2.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1462 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9552 -3.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5732 -2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3823 -2.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 -3.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6622 -4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8531 -4.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 -3.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0441 -4.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4997 -3.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2351 -4.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 -4.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 -4.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5368 -4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 -4.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7357 -3.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 -3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0156 -4.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 -5.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2955 -5.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4865 -6.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3691 -5.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9136 -5.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7226 -5.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9871 -4.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7962 -4.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0607 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8697 -3.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3406 -5.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1496 -5.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0761 -5.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6205 -6.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4295 -6.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6941 -5.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5031 -5.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0476 -6.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8566 -5.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7830 -6.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3275 -7.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9740 -7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7094 -7.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2670 -6.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0025 -6.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5469 -7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2824 -8.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8268 -8.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5623 -9.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7532 -9.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6358 -8.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1803 -9.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9004 -7.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6499 -8.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3559 -7.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0293 -6.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6337 -4.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4427 -4.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0892 -3.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3538 -2.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 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 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 2 28 1 0 0 0 0 10 28 1 0 0 0 0 18 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 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 39 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 46 53 1 0 0 0 0 53 54 1 0 0 0 0 44 55 1 0 0 0 0 37 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 59 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 57 66 1 0 0 0 0 66 67 1 0 0 0 0 35 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 30 70 1 0 0 0 0 70 71 1 0 0 0 0 M END > FDB012503 > foodb > CC1C2CCC(C)CN2C2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O > InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3 > KWRYHKRVKRBBBU-UHFFFAOYSA-N > C50H83NO20 > 1018.1887 > 1017.550844101 > 21 > 110.76962308955024 > 0 > 12 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl}oxy)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0.24 > -2.317764483883352 > -2.80 > 1 > 10 > 1 > 12.103557640804484 > 11.69163135952237 > 12.42229407844289 > 319.84000000000003 > 243.69810000000004 > 11 > 0 > 1.63e+00 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-yl}oxy)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > FDB012503 > Demissine $$$$