Mrv0541 05061308582D 116128 0 0 0 0 999 V2000 -5.2245 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 -2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 0.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2477 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -3.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 -1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 -2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 -1.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -1.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 8.3504 6.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 3.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 -0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -1.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 -1.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -6.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -3.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3517 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 7.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6535 -0.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 -1.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3517 2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 8.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 -4.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 4.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6535 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 -3.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 0.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9227 3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 7.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7095 -3.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2805 -2.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 -0.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 4.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 -1.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2083 1.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 5.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 -1.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 -1.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -4.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 5.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 -1.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -3.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 0.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 26 1 1 0 0 0 0 27 2 1 0 0 0 0 28 3 1 0 0 0 0 29 10 2 0 0 0 0 30 20 1 0 0 0 0 30 29 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 21 1 0 0 0 0 34 22 1 0 0 0 0 35 12 1 0 0 0 0 36 11 1 0 0 0 0 37 13 1 0 0 0 0 38 26 1 0 0 0 0 39 27 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 42 33 1 0 0 0 0 43 34 1 0 0 0 0 44 38 1 0 0 0 0 45 42 1 0 0 0 0 46 39 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 44 1 0 0 0 0 50 45 1 0 0 0 0 54 28 1 0 0 0 0 55 43 1 0 0 0 0 55 52 1 0 0 0 0 56 51 1 0 0 0 0 57 53 1 0 0 0 0 57 54 1 0 0 0 0 58 51 1 0 0 0 0 59 46 1 0 0 0 0 60 56 1 0 0 0 0 61 58 1 0 0 0 0 62 47 1 0 0 0 0 63 48 1 0 0 0 0 64 49 1 0 0 0 0 65 50 1 0 0 0 0 66 53 1 0 0 0 0 67 52 1 0 0 0 0 68 59 1 0 0 0 0 69 60 1 0 0 0 0 71 4 1 0 0 0 0 71 5 1 0 0 0 0 71 16 1 0 0 0 0 71 20 1 0 0 0 0 72 6 1 0 0 0 0 72 14 1 0 0 0 0 72 35 1 0 0 0 0 72 36 1 0 0 0 0 73 7 1 0 0 0 0 73 25 1 0 0 0 0 73 35 1 0 0 0 0 73 37 1 0 0 0 0 74 8 1 0 0 0 0 74 17 1 0 0 0 0 74 29 1 0 0 0 0 75 9 1 0 0 0 0 75 15 1 0 0 0 0 75 36 1 0 0 0 0 75 74 1 0 0 0 0 76 18 1 0 0 0 0 76 19 1 0 0 0 0 76 30 1 0 0 0 0 76 70 1 0 0 0 0 77 21 1 0 0 0 0 78 22 1 0 0 0 0 79 25 2 0 0 0 0 80 31 1 0 0 0 0 81 32 1 0 0 0 0 82 38 1 0 0 0 0 83 39 1 0 0 0 0 84 40 1 0 0 0 0 85 41 1 0 0 0 0 86 42 1 0 0 0 0 87 43 1 0 0 0 0 88 44 1 0 0 0 0 89 45 1 0 0 0 0 90 46 1 0 0 0 0 91 47 1 0 0 0 0 92 48 1 0 0 0 0 93 49 1 0 0 0 0 94 50 1 0 0 0 0 95 51 1 0 0 0 0 96 52 1 0 0 0 0 97 53 1 0 0 0 0 98 61 2 0 0 0 0 99 61 1 0 0 0 0 100 70 2 0 0 0 0 101 23 1 0 0 0 0 101 62 1 0 0 0 0 102 24 1 0 0 0 0 102 63 1 0 0 0 0 103 26 1 0 0 0 0 103 64 1 0 0 0 0 104 27 1 0 0 0 0 104 68 1 0 0 0 0 105 28 1 0 0 0 0 105 66 1 0 0 0 0 106 33 1 0 0 0 0 106 65 1 0 0 0 0 107 34 1 0 0 0 0 107 67 1 0 0 0 0 108 37 1 0 0 0 0 108 69 1 0 0 0 0 109 54 1 0 0 0 0 109 62 1 0 0 0 0 110 55 1 0 0 0 0 110 63 1 0 0 0 0 111 56 1 0 0 0 0 111 64 1 0 0 0 0 112 57 1 0 0 0 0 112 67 1 0 0 0 0 113 58 1 0 0 0 0 113 69 1 0 0 0 0 114 59 1 0 0 0 0 114 66 1 0 0 0 0 115 60 1 0 0 0 0 115 65 1 0 0 0 0 116 68 1 0 0 0 0 116 70 1 0 0 0 0 M END > CHEM030011 > chemdb > CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(C)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C76H120O40/c1-26-38(82)44(88)49(93)64(103-26)111-56-51(95)58(61(98)99)113-69(60(56)115-65-50(94)45(89)42(86)33(21-77)106-65)108-37-13-14-72(6)35(73(37,7)25-79)12-15-75(9)36(72)11-10-29-30-20-71(4,5)16-18-76(30,19-17-74(29,75)8)70(100)116-68-59(46(90)39(83)27(2)104-68)114-66-53(97)57(54(28(3)105-66)109-62-47(91)40(84)31(80)23-101-62)112-67-52(96)55(43(87)34(22-78)107-67)110-63-48(92)41(85)32(81)24-102-63/h10,25-28,30-60,62-69,77-78,80-97H,11-24H2,1-9H3,(H,98,99) > ITTILXNWLDHOGR-UHFFFAOYSA-N > C76H120O40 > 1673.742 > 1672.73558872 > 39 > 168.8181722261432 > 0 > 21 > 0 > 0 > 6-({8a-[({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0.17 > -4.314333510999999 > -2.29 > 1 > 13 > -1 > 11.59032074705995 > 3.319888317644056 > -3.947061848387688 > 623.7200000000004 > 377.0518999999996 > 21 > 0 > 8.58e+00 g/l > 6-({8a-[({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Momordicasaponin I > 96552-95-3 $$$$