Mrv0541 05061312102D 77 85 0 0 0 0 999 V2000 4.3237 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -1.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 -1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 2.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4504 -1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 -0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2661 0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 -3.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 -2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 -1.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2949 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 -0.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -2.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7434 -2.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -2.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 -1.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 -1.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 0.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1545 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8752 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8890 0.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8464 -1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 -1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -2.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9964 2.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8657 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0954 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1958 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5549 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 0.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5823 3.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4544 2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0432 2.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0307 -2.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7391 -1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7241 -0.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4324 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1257 0.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 -3.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1683 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1531 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8615 -0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 -2.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 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 42 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 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 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 39 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 37 59 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 53 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 52 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 56 57 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 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 64 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 66 67 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 69 70 1 0 0 0 0 69 75 1 0 0 0 0 70 71 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 77 1 0 0 0 0 75 76 1 0 0 0 0 M END > CHEM033992 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3 > MUJBUNJXXCRGGT-UHFFFAOYSA-N > C54H88O23 > 1105.2627 > 1104.571639122 > 22 > 118.41287312349596 > 0 > 14 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 0.83 > -0.9857415969999991 > -3.08 > 1 > 9 > 0 > 12.08782880708298 > 11.672613554346757 > -3.6483977515465424 > 374.13000000000005 > 263.29560000000004 > 13 > 0 > 9.28e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > Araloside G > 144077-05-4 $$$$