Mrv0541 02241217332D 75 83 0 0 0 0 999 V2000 2.7968 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0526 0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0526 -0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 -0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 0.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9621 0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2684 1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7537 1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5733 1.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8796 2.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3637 3.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5974 2.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4169 2.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9023 3.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2086 3.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5669 4.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -1.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -3.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3627 -2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3627 -1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0763 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0763 -2.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 -3.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 -4.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 1.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 2.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3637 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6486 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 -0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7913 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6486 1.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -1.2615 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 49 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 52 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 50 51 1 0 0 0 0 50 52 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 69 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 71 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 67 1 0 0 0 0 61 62 1 0 0 0 0 61 73 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 73 1 0 0 0 0 66 67 1 0 0 0 0 67 68 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 70 75 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 0 0 0 0 M END > CHEM028198 > chemdb > CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3 > OFEAYOYKIQKFSK-UHFFFAOYSA-N > C51H86O24 > 1083.2141 > 1082.55090368 > 24 > 114.31754930303842 > 0 > 15 > 0 > 0 > 2-({2-[(4,5-dihydroxy-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)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol > -0.88 > -2.9121612196666637 > -2.91 > 1 > 9 > 0 > 11.957362455943908 > 11.505128452299852 > -3.6786119366911016 > 386.52000000000004 > 252.57920000000007 > 16 > 0 > 1.33e+00 g/l > 2-({2-[(4,5-dihydroxy-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)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Tomatoside A > 75557-22-1 $$$$