Mrv1533004241517522D 61 68 0 0 0 0 999 V2000 -0.4185 5.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 3.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 2.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 2.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0811 3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 3.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 1.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 1.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 0.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 -0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2489 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 -1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7602 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 -1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 -2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5423 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 -1.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -1.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6719 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1112 -1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4162 -3.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0547 -2.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2487 -3.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -2.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 -2.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 -3.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 -4.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 -5.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3597 -4.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 -4.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 3.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 2.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 3.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 3.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 4.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 5.2194 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 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 23 29 1 0 0 0 0 29 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 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 27 36 1 0 0 0 0 31 36 1 0 0 0 0 33 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 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 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 43 52 1 0 0 0 0 52 53 1 0 0 0 0 24 54 1 0 0 0 0 15 54 1 0 0 0 0 20 54 1 0 0 0 0 54 55 1 0 0 0 0 4 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 2 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0231252 > NP-MRD > CC1OC(OC2C(O)C(O)COC2OC2CC(O)CC3=CCC4C5CC6OC(CCC(=C)COC7OC(CO)C(O)C(O)C7O)=C(C)C6C5(C)CCC4C23C)C(O)C(O)C1O > InChI=1S/C44H68O17/c1-18(16-55-40-37(53)36(52)34(50)29(15-45)59-40)6-9-27-19(2)31-28(58-27)14-25-23-8-7-21-12-22(46)13-30(44(21,5)24(23)10-11-43(25,31)4)60-42-39(33(49)26(47)17-56-42)61-41-38(54)35(51)32(48)20(3)57-41/h7,20,22-26,28-42,45-54H,1,6,8-17H2,2-5H3 > YCXHBSHHBWHZKV-UHFFFAOYSA-N > C44H68O17 > 869.011 > 868.44565073 > 17 > 129 > 92.47087500054903 > 0 > 10 > 0 > 0 > 2-{[4,5-dihydroxy-2-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > -0.19 > -1.3640892176666675 > -3.35 > 1 > 8 > 0 > 12.343288137243825 > 11.866554891533069 > -3.5268774613247587 > 266.90999999999997 > 214.353 > 11 > 0 > 3.86e-01 g/l > 2-{[4,5-dihydroxy-2-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > NP0231252 > 2-{[4,5-dihydroxy-2-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol $$$$