Mrv1533004241503432D 61 69 0 0 0 0 999 V2000 -5.8483 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0675 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 -0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5893 1.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 1.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9913 1.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3933 1.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1740 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3334 0.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1142 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2736 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0543 -0.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7355 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5162 0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 1.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1973 2.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7953 2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6359 2.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8319 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4532 2.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0512 2.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8918 3.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 2.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 2.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 0.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 -0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8615 -1.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 -2.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 -2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -1.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1188 1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 2.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 1.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 -2.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 -1.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 -1.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4462 -1.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 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 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 4 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 39 49 1 0 0 0 0 43 49 1 0 0 0 0 49 50 1 0 0 0 0 45 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 51 56 1 0 0 0 0 36 57 1 0 0 0 0 57 58 1 0 0 0 0 31 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 28 60 1 0 0 0 0 60 61 1 0 0 0 0 2 61 1 0 0 0 0 M END > NP0300937 > NP-MRD > CC1CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C(O)CC54O)C4=CC(=O)OC4)CC3OC2O1 > InChI=1S/C41H60O20/c1-16-7-26(60-36-34(51)32(49)30(47)25(58-36)14-55-35-33(50)31(48)29(46)24(12-42)57-35)41(53)37(56-16)59-22-9-18-3-4-20-19(39(18,15-43)11-23(22)61-41)5-6-38(2)28(17-8-27(45)54-13-17)21(44)10-40(20,38)52/h8,15-16,18-26,28-37,42,44,46-53H,3-7,9-14H2,1-2H3 > FNHVGYIBWNXULI-UHFFFAOYSA-N > C41H60O20 > 872.911 > 872.367794332 > 19 > 121 > 88.47183489674342 > 0 > 10 > 0 > 0 > 10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2,5-dihydrofuran-3-yl)-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde > -1.36 > -2.9593142349999986 > -2.30 > 1 > 9 > -1 > 9.443871693062707 > 6.829965227103352 > -3.6483773177512537 > 310.28000000000003 > 199.89910000000006 > 8 > 0 > 4.36e+00 g/l > 10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde > 0 > NP0300937 > 10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde $$$$