Mrv0541 05061309012D 117129 0 0 0 0 999 V2000 2.6604 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 -0.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 1.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7698 -1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -2.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 3.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 3.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4843 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9132 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9132 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4843 0.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6277 0.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6277 -1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 -1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4843 1.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9132 1.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3422 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3422 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0567 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7711 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7711 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0567 -1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4856 0.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0567 1.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0066 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 0.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -0.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 1.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 2.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 3.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 2.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 2.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 3.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 4.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 3.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 5.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 4.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 5.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 5.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 6.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 5.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 4.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 5.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 6.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 7.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 6.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 2.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0906 2.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8051 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8051 3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0906 3.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5196 2.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5196 3.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0906 4.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9132 -2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9132 -3.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6277 -3.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3422 -3.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3422 -2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6277 -1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0567 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7711 -2.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0567 -3.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6277 -4.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 -3.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4856 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 7.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 7.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 7.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 8.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 8.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 8.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 8.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 9.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 8.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 0.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11116 2 0 0 0 0 12 55 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17117 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 34 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 43 1 0 0 0 0 36 37 1 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 44 2 0 0 0 0 40 45 1 0 0 0 0 42 46 1 0 0 0 0 43 95 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 54 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 50106 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 56 57 1 0 0 0 0 56 64 1 0 0 0 0 57 58 1 0 0 0 0 57 63 1 0 0 0 0 58 59 1 0 0 0 0 58 62 1 0 0 0 0 59 60 1 0 0 0 0 59 61 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 66 74 1 0 0 0 0 67 68 1 0 0 0 0 67 73 1 0 0 0 0 68 69 1 0 0 0 0 68 72 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 72 86 1 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 81 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 82 1 0 0 0 0 84107 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 92 1 0 0 0 0 90 91 1 0 0 0 0 90 93 1 0 0 0 0 91 94 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 96 97 1 0 0 0 0 96105 1 0 0 0 0 97 98 1 0 0 0 0 97104 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 99100 1 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 111112 1 0 0 0 0 111114 1 0 0 0 0 112113 1 0 0 0 0 M END > CHEM030012 > chemdb > CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)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/C76H120O41/c1-25-38(83)44(89)49(94)64(104-25)112-56-51(96)58(61(99)100)114-69(60(56)116-65-50(95)45(90)42(87)32(20-77)107-65)109-37-13-14-72(6)34(73(37,7)24-79)12-15-74(8)35(72)11-10-28-29-18-71(4,5)16-17-76(29,36(82)19-75(28,74)9)70(101)117-68-59(46(91)39(84)26(2)105-68)115-66-53(98)57(54(27(3)106-66)110-62-47(92)40(85)30(80)22-102-62)113-67-52(97)55(43(88)33(21-78)108-67)111-63-48(93)41(86)31(81)23-103-63/h10,24-27,29-60,62-69,77-78,80-98H,11-23H2,1-9H3,(H,99,100) > MBOSQJXNWZRRFQ-UHFFFAOYSA-N > C76H120O41 > 1689.7414 > 1688.730503342 > 40 > 170.1558075328001 > 0 > 22 > 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-8-hydroxy-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 > 0.15 > -5.545144578 > -2.14 > 1 > 13 > -1 > 11.590320747059932 > 3.319888317644056 > -3.947061848387688 > 643.9500000000004 > 378.5673999999998 > 21 > 0 > 1.22e+01 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-8-hydroxy-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 II > 96552-96-4 $$$$