Mrv0541 02241216552D 75 84 0 0 0 0 999 V2000 2.3661 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 -2.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2931 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 2.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 -2.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3156 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9837 1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8971 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5653 2.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 2.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5621 1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5621 0.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 -0.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 0.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 -0.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 -2.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -2.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 -1.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -2.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -3.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4925 -2.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4925 -0.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8784 0.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5563 2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 2.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9628 2.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1057 1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4219 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4219 -1.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1354 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8504 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8504 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1354 -0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8811 1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5136 1.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5952 2.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0443 3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7809 2.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1354 -3.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8504 -3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5653 -2.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5653 -0.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1354 0.2564 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 2 8 1 0 0 0 0 2 19 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 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 49 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 52 60 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 55 70 1 0 0 0 0 56 57 1 0 0 0 0 56 69 1 0 0 0 0 57 58 1 0 0 0 0 57 68 1 0 0 0 0 58 59 1 0 0 0 0 58 66 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 71 1 0 0 0 0 63 64 1 0 0 0 0 63 73 1 0 0 0 0 64 65 1 0 0 0 0 64 74 1 0 0 0 0 65 75 1 0 0 0 0 66 67 1 0 0 0 0 71 72 1 0 0 0 0 M END > FDB002653 > foodb > CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C51H84O24/c1-19-5-10-51(66-18-19)20(2)32-27(75-51)13-24-22-12-26(56)25-11-21(6-8-49(25,3)23(22)7-9-50(24,32)4)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3 > ZQEKBPUAGJKEQO-UHFFFAOYSA-N > C51H84O24 > 1081.1983 > 1080.535253616 > 24 > 115.1008807495007 > 0 > 14 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -0.92 > -3.059222444333334 > -2.55 > 1 > 10 > 0 > 12.192858987414294 > 11.75432466760621 > -3.648377595760352 > 375.52000000000004 > 250.66160000000008 > 12 > 0 > 3.05e+00 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > FDB002653 > Eruboside B $$$$