Mrv0541 09111213372D 123136 0 0 0 0 999 V2000 -4.5265 -5.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -4.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -5.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -6.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 4.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 4.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 4.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 3.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 2.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 5.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 5.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 5.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 6.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 5.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 4.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 4.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 3.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 1.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 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5.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 5.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 4.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 3.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 4.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 4.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7755 4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 3.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -2.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 -1.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 -0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -2.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9416 -3.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 -3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -3.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 -1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -1.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -1.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 -2.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1953 -5.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -5.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -4.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -4.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 -4.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 -5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 -5.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -5.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -6.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 2.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 1.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5414 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 3.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 3.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 3.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 2.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 0.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 2.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 0.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 -1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -4.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5265 -3.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 1.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 -0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 -1.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4295 -4.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4295 -4.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8221 -4.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -4.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 2.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 1.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 4.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 5.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 4.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 5.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 5.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 5.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 4.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 3.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 6.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3498 5.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3498 3.9154 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 97 2 0 0 0 0 3 4 1 0 0 0 0 3104 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 31 2 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 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17108 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 80 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 43 2 0 0 0 0 40 41 1 0 0 0 0 40 46 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49110 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 52 61 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 62 1 0 0 0 0 56 57 1 0 0 0 0 57106 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 59 69 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 2 0 0 0 0 64 94 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 67 73 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 2 0 0 0 0 73 74 1 0 0 0 0 75 76 1 0 0 0 0 75113 1 0 0 0 0 76 77 1 0 0 0 0 76111 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78109 1 0 0 0 0 79 80 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 88 2 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 84 90 1 0 0 0 0 85 86 2 0 0 0 0 85112 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 89 99 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92101 2 0 0 0 0 93 94 2 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95102 2 0 0 0 0 96 97 1 0 0 0 0 96105 2 0 0 0 0 97 98 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 113114 2 0 0 0 0 113115 1 0 0 0 0 115116 2 0 0 0 0 115120 1 0 0 0 0 116117 1 0 0 0 0 117118 2 0 0 0 0 117121 1 0 0 0 0 118119 1 0 0 0 0 118122 1 0 0 0 0 119120 2 0 0 0 0 119123 1 0 0 0 0 M END > CHEM024500 > chemdb > OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)OC6COC(=O)C7=C(C(O)=C(O)C(OC8=C(C=C(O)C(O)=C8O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)=C7)C1=C(C=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC=C(O)C(O)=C1O > InChI=1S/C75H52O48/c76-24-2-1-17(41(85)44(24)88)69(105)120-62-60-36-14-112-68(104)20-11-33(49(93)53(97)39(20)38-19(70(106)118-60)8-30(82)46(90)52(38)96)113-57-22(9-31(83)47(91)55(57)99)72(108)121-63-61(119-65(101)15-3-25(77)42(86)26(78)4-15)59-35(115-74(63)110)13-111-67(103)18-7-29(81)45(89)51(95)37(18)40-21(71(107)117-59)12-34(50(94)54(40)98)114-58-23(10-32(84)48(92)56(58)100)73(109)122-64(62)75(116-36)123-66(102)16-5-27(79)43(87)28(80)6-16/h1-12,35-36,59-64,74-100,110H,13-14H2 > RZGKUVZIVMMAMQ-UHFFFAOYSA-N > C75H52O48 > 1721.1866 > 1720.16280352 > 37 > 150.75893793074795 > 0 > 26 > 0 > 0 > 4,5,6,20,21,22,30,31,32,38,46,47,48,51,52,59,60-heptadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(2,3,4-trihydroxybenzoyloxy)-58-(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.3¹⁴,²⁵.2²⁴,²⁷.1¹¹,¹⁵.0³,⁸.0¹⁸,²³.0²⁹,³⁴.0⁴⁰,⁵⁷.0⁴⁴,⁴⁹.0⁵⁰,⁵⁴]tetrahexaconta-1(52),3,5,7,18(23),19,21,24,26,29(34),30,32,44(49),45,47,50,53,59-octadecaen-12-yl 3,4,5-trihydroxybenzoate > 3.83 > 7.255528986333332 > -2.62 > 1 > 14 > -3 > 6.0791117935910215 > 6.328692490767351 > -4.330367883440446 > 799.6000000000006 > 388.2892999999997 > 9 > 0 > 4.13e+00 g/l > 4,5,6,20,21,22,30,31,32,38,46,47,48,51,52,59,60-heptadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(2,3,4-trihydroxybenzoyloxy)-58-(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.3¹⁴,²⁵.2²⁴,²⁷.1¹¹,¹⁵.0³,⁸.0¹⁸,²³.0²⁹,³⁴.0⁴⁰,⁵⁷.0⁴⁴,⁴⁹.0⁵⁰,⁵⁴]tetrahexaconta-1(52),3,5,7,18(23),19,21,24,26,29(34),30,32,44(49),45,47,50,53,59-octadecaen-12-yl 3,4,5-trihydroxybenzoate > 0 > Eugeniflorin D1 > 189302-95-2 $$$$