Mrv0541 05061311482D 66 72 0 0 0 0 999 V2000 7.7456 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5402 8.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 5.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8511 7.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 5.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 -2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 7.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 6.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 6.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 6.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 5.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 6.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8256 4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -3.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7229 8.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 5.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 1.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -2.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 8.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 7.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -1.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7964 6.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5275 6.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 5.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 6.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 4.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1492 5.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 4.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 18 1 1 0 0 0 0 18 12 1 0 0 0 0 19 2 1 0 0 0 0 19 18 2 0 0 0 0 20 3 1 0 0 0 0 21 6 2 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 22 14 1 0 0 0 0 23 7 1 0 0 0 0 24 8 1 0 0 0 0 24 20 1 0 0 0 0 25 9 1 0 0 0 0 25 23 1 0 0 0 0 26 10 1 0 0 0 0 26 23 1 0 0 0 0 27 12 1 0 0 0 0 27 20 1 0 0 0 0 28 15 1 0 0 0 0 29 16 1 0 0 0 0 30 17 1 0 0 0 0 31 14 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 19 1 0 0 0 0 42 38 1 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 4 1 0 0 0 0 45 11 1 0 0 0 0 45 24 1 0 0 0 0 45 25 1 0 0 0 0 46 5 1 0 0 0 0 46 21 1 0 0 0 0 46 26 1 0 0 0 0 46 31 1 0 0 0 0 47 15 1 0 0 0 0 48 16 1 0 0 0 0 49 17 1 0 0 0 0 50 27 1 0 0 0 0 51 31 1 0 0 0 0 52 32 1 0 0 0 0 53 33 1 0 0 0 0 54 34 1 0 0 0 0 55 35 1 0 0 0 0 56 36 1 0 0 0 0 57 37 1 0 0 0 0 58 38 1 0 0 0 0 59 39 1 0 0 0 0 60 41 2 0 0 0 0 61 22 1 0 0 0 0 61 42 1 0 0 0 0 62 28 1 0 0 0 0 62 42 1 0 0 0 0 63 29 1 0 0 0 0 63 43 1 0 0 0 0 64 30 1 0 0 0 0 64 44 1 0 0 0 0 65 40 1 0 0 0 0 65 43 1 0 0 0 0 66 41 1 0 0 0 0 66 44 1 0 0 0 0 M END > CHEM033598 > chemdb > CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C46H74O20/c1-18(19(2)41(60)66-44-40(37(57)34(54)30(17-49)64-44)65-43-39(59)36(56)33(53)29(16-48)63-43)12-27(50)20(3)24-8-9-25-23-7-6-21-13-22(61-42-38(58)35(55)32(52)28(15-47)62-42)14-31(51)46(21,5)26(23)10-11-45(24,25)4/h6,20,22-40,42-44,47-59H,7-17H2,1-5H3/b19-18- > SLKLMANSFWXKFP-HNENSFHCSA-N > C46H74O20 > 947.0678 > 946.477344808 > 19 > 100.5263107364753 > 0 > 13 > 0 > 0 > 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate > -1.09 > -2.046412501333334 > -3.02 > 1 > 7 > 0 > 12.313295767349445 > 11.847309208373552 > -3.6483775347656673 > 335.44000000000005 > 227.78790000000006 > 14 > 0 > 9.05e-01 g/l > 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate > 0 > 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester > 155510-73-9 $$$$