Mrv0541 05061311492D 59 64 0 0 0 0 999 V2000 9.8890 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9017 1.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1264 1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1580 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4662 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9398 5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5362 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3408 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1226 5.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2253 1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8117 6.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7317 2.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9945 6.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4208 3.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 5.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6035 3.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7736 2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7990 4.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0972 2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4462 5.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8344 -0.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 -0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 0.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3181 6.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5489 2.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 7.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9271 3.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6709 5.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0299 0.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6162 4.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4081 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 4.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2799 2.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 17 1 1 0 0 0 0 17 11 1 0 0 0 0 18 2 1 0 0 0 0 18 17 2 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 7 2 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 22 13 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 24 19 1 0 0 0 0 25 10 1 0 0 0 0 25 23 1 0 0 0 0 26 11 1 0 0 0 0 26 19 1 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 16 1 0 0 0 0 30 13 1 0 0 0 0 31 23 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 18 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 5 1 0 0 0 0 41 14 1 0 0 0 0 41 24 1 0 0 0 0 41 25 1 0 0 0 0 42 6 1 0 0 0 0 42 21 1 0 0 0 0 42 30 1 0 0 0 0 42 31 1 0 0 0 0 43 15 1 0 0 0 0 44 20 2 0 0 0 0 45 22 1 0 0 0 0 46 26 1 0 0 0 0 47 27 1 0 0 0 0 48 30 1 0 0 0 0 49 32 1 0 0 0 0 50 33 1 0 0 0 0 51 34 1 0 0 0 0 52 35 1 0 0 0 0 53 36 1 0 0 0 0 54 38 2 0 0 0 0 55 16 1 0 0 0 0 55 20 1 0 0 0 0 56 28 1 0 0 0 0 56 39 1 0 0 0 0 57 29 1 0 0 0 0 57 40 1 0 0 0 0 58 37 1 0 0 0 0 58 39 1 0 0 0 0 59 38 1 0 0 0 0 59 40 1 0 0 0 0 M END > CHEM033605 > chemdb > CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C > InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17- > CRRPFFTZRFACDM-ZCXUNETKSA-N > C42H66O17 > 842.9632 > 842.430000686 > 15 > 88.57194776481732 > 0 > 10 > 0 > 0 > 6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate > -0.46 > -1.1432162423333343 > -3.16 > 1 > 6 > 0 > 12.697382673462783 > 12.088752481046036 > -2.846706124604802 > 282.59 > 206.11860000000007 > 13 > 0 > 5.81e-01 g/l > 6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate > 0 > 26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate > 155510-76-2 $$$$