Mrv0541 05061309282D 110121 0 0 0 0 999 V2000 10.9891 3.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 -0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7278 -1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 4.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7152 4.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 1.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 2.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4704 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4704 0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 -0.6348 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 -2.6743 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1849 3.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1849 1.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6151 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5322 -1.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 -1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 7.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2466 1.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5204 0.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 6.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2466 -0.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8177 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 1.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -3.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 5.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 5.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3026 -1.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 2.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 4.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 1.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6743 2.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 2.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 0.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 5.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1032 0.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 0.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5309 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 4.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 1.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 1.8403 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 17 16 1 0 0 0 0 25 1 1 0 0 0 0 26 2 1 0 0 0 0 27 3 1 0 0 0 0 28 10 2 0 0 0 0 29 18 1 0 0 0 0 29 28 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 20 1 0 0 0 0 33 21 1 0 0 0 0 34 12 1 0 0 0 0 35 11 1 0 0 0 0 36 19 1 0 0 0 0 37 13 1 0 0 0 0 38 30 1 0 0 0 0 39 31 1 0 0 0 0 40 32 1 0 0 0 0 41 33 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 44 1 0 0 0 0 51 25 1 0 0 0 0 51 44 1 0 0 0 0 52 26 1 0 0 0 0 53 50 1 0 0 0 0 54 50 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 57 55 1 0 0 0 0 58 54 1 0 0 0 0 59 45 1 0 0 0 0 60 46 1 0 0 0 0 61 49 1 0 0 0 0 62 47 1 0 0 0 0 63 48 1 0 0 0 0 64 57 1 0 0 0 0 65 56 1 0 0 0 0 67 4 1 0 0 0 0 67 5 1 0 0 0 0 67 16 1 0 0 0 0 67 18 1 0 0 0 0 68 6 1 0 0 0 0 68 14 1 0 0 0 0 68 34 1 0 0 0 0 68 35 1 0 0 0 0 69 7 1 0 0 0 0 69 24 1 0 0 0 0 69 34 1 0 0 0 0 69 37 1 0 0 0 0 70 8 1 0 0 0 0 70 15 1 0 0 0 0 70 35 1 0 0 0 0 71 9 1 0 0 0 0 71 19 1 0 0 0 0 71 28 1 0 0 0 0 71 70 1 0 0 0 0 72 17 1 0 0 0 0 72 29 1 0 0 0 0 72 36 1 0 0 0 0 72 66 1 0 0 0 0 73 20 1 0 0 0 0 74 21 1 0 0 0 0 75 24 2 0 0 0 0 76 27 2 0 0 0 0 77 30 1 0 0 0 0 78 31 1 0 0 0 0 79 36 1 0 0 0 0 80 38 1 0 0 0 0 81 39 1 0 0 0 0 82 40 1 0 0 0 0 83 41 1 0 0 0 0 84 42 1 0 0 0 0 85 43 1 0 0 0 0 86 44 1 0 0 0 0 87 45 1 0 0 0 0 88 46 1 0 0 0 0 89 47 1 0 0 0 0 90 48 1 0 0 0 0 91 49 1 0 0 0 0 92 50 1 0 0 0 0 93 58 2 0 0 0 0 94 58 1 0 0 0 0 95 66 2 0 0 0 0 96 22 1 0 0 0 0 96 59 1 0 0 0 0 97 23 1 0 0 0 0 97 60 1 0 0 0 0 98 25 1 0 0 0 0 98 61 1 0 0 0 0 99 26 1 0 0 0 0 99 64 1 0 0 0 0 100 27 1 0 0 0 0 100 52 1 0 0 0 0 101 32 1 0 0 0 0 101 62 1 0 0 0 0 102 33 1 0 0 0 0 102 63 1 0 0 0 0 103 37 1 0 0 0 0 103 65 1 0 0 0 0 104 51 1 0 0 0 0 104 59 1 0 0 0 0 105 53 1 0 0 0 0 105 60 1 0 0 0 0 106 54 1 0 0 0 0 106 65 1 0 0 0 0 107 55 1 0 0 0 0 107 62 1 0 0 0 0 108 56 1 0 0 0 0 108 63 1 0 0 0 0 109 57 1 0 0 0 0 109 61 1 0 0 0 0 110 64 1 0 0 0 0 110 66 1 0 0 0 0 M END > CHEM022694 > chemdb > CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O > InChI=1S/C72H112O38/c1-25-51(104-59-45(87)38(80)30(77)22-96-59)44(86)49(91)61(98-25)109-57-55(107-62-47(89)42(84)40(82)32(20-73)101-62)52(100-27(3)76)26(2)99-64(57)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-56(108-63-48(90)43(85)41(83)33(21-74)102-63)53(50(92)54(106-65)58(93)94)105-60-46(88)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94) > OWVXRCQFFFWXGZ-UHFFFAOYSA-N > C72H112O38 > 1585.6369 > 1584.68315922 > 36 > 160.53658347319913 > 0 > 19 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.14 > -4.380093488666668 > -2.47 > 1 > 12 > -1 > 11.659913306185627 > 3.281826181604574 > -3.739145097769568 > 591.1000000000004 > 356.8492999999996 > 21 > 0 > 5.35e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester > 299184-64-8 $$$$