Mrv0541 02241217512D 72 81 0 0 0 0 999 V2000 2.5936 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -0.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 -1.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -1.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 -0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0046 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7951 0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5554 0.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1603 2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8368 2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 2.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 -1.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -1.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 -2.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 0.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4411 -1.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 -0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 -1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 -1.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -2.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6065 -3.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 2.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5198 1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2568 0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9634 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6838 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3906 1.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2127 3.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2264 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9483 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 2.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2994 -1.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 -1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4822 -0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4969 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4331 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5912 -2.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8992 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0560 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8368 -1.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0321 -1.7728 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 7 1 0 0 0 0 2 17 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 30 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 23 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 39 1 0 0 0 0 34 35 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 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 43 62 1 0 0 0 0 44 51 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 61 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 57 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 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 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 68 1 0 0 0 0 65 66 1 0 0 0 0 65 72 1 0 0 0 0 66 67 1 0 0 0 0 66 70 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 M END > FDB001353 > foodb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3 > BJNQXJIQCPPOHN-UHFFFAOYSA-N > C50H82O22 > 1035.1729 > 1034.529774308 > 22 > 110.83958295517846 > 0 > 12 > 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]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 > -0.32 > -1.120122705333331 > -2.92 > 1 > 10 > 0 > 12.193989303247063 > 11.7554512571713 > -3.648377595760352 > 335.06000000000006 > 243.10660000000007 > 11 > 0 > 1.25e+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]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 > FDB001353 > Uttronin A $$$$