Mrv0541 02241210342D 74 82 0 0 0 0 999 V2000 1.7445 2.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 1.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4668 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7423 -0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7272 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 -1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 -1.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4626 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7522 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7673 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0814 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8993 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 2.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 2.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 2.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5318 2.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0281 3.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 3.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3409 4.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 3.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3895 3.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8857 4.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 4.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2014 4.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 5.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 -1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3343 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 -0.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0258 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 0.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 1.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0986 -4.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 -3.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 -4.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 -5.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -3.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 -3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 -2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3618 -3.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0698 -2.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 -1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7476 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 -3.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 -4.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -1.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1895 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1772 -0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8838 -0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8687 0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9264 -2.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9127 -1.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6192 -1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6041 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3107 -0.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3409 -1.6922 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 23 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 20 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 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 28 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 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 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 39 1 0 0 0 0 34 35 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 38 41 1 0 0 0 0 39 40 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 58 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 60 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 56 1 0 0 0 0 50 51 1 0 0 0 0 50 62 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 62 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 59 64 1 0 0 0 0 60 61 1 0 0 0 0 62 63 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 70 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 74 1 0 0 0 0 72 73 1 0 0 0 0 M END > FDB001356 > foodb > CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C51H86O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-42(64)39(61)35(57)30(17-53)70-47)43(36(58)31(18-54)71-48)72-46-41(63)37(59)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3 > CEWQEUNTBORADC-UHFFFAOYSA-N > C51H86O23 > 1067.2147 > 1066.555989058 > 23 > 113.38906957300941 > 0 > 14 > 0 > 0 > 2-[(3-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-2-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol > -0.68 > -1.8652512529999985 > -2.92 > 1 > 9 > 0 > 11.962239234836083 > 11.508065213934353 > -3.655542443775766 > 366.29 > 251.03550000000007 > 15 > 0 > 1.29e+00 g/l > 2-[(3-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-2-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > FDB001356 > Melongoside P $$$$