Mrv1533004161507292D 62 68 0 0 0 0 999 V2000 4.9830 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 -1.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5628 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 1.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 1.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -0.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 -1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 -2.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4734 -1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2855 -1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9416 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2219 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 1.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 2.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 1.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 2.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 3.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 3.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 2.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 1.5287 0.0000 C 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 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 2 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 2 0 0 0 0 13 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 9 20 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 17 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 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 31 33 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 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 35 42 1 0 0 0 0 42 43 1 0 0 0 0 33 44 1 0 0 0 0 28 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 46 55 1 0 0 0 0 55 56 1 0 0 0 0 26 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 22 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 16 62 1 0 0 0 0 M END > NP0181595 > NP-MRD > CC(CCC=C(C)C)C1CCC2(C(O)=O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OCC(O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3 > InChI=1S/C46H74O16/c1-22(2)9-8-10-23(3)24-14-18-46(42(55)56)26-11-12-30-43(4,5)31(15-16-44(30,6)25(26)13-17-45(24,46)7)60-41-38(62-40-36(54)34(52)33(51)29(19-47)59-40)37(28(49)21-58-41)61-39-35(53)32(50)27(48)20-57-39/h9,23-24,27-41,47-54H,8,10-21H2,1-7H3,(H,55,56) > FKCOUVSITIUHHA-UHFFFAOYSA-N > C46H74O16 > 883.082 > 882.497686303 > 16 > 136 > 97.07477071866857 > 0 > 9 > 0 > 0 > 5-[(5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-11-carboxylic acid > 2.32 > 2.8465280670000004 > -3.65 > 1 > 7 > -1 > 11.910398665533457 > 4.555692691711902 > -3.526580662123574 > 254.51999999999995 > 221.5768000000001 > 12 > 0 > 1.97e-01 g/l > 5-[(5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-11-carboxylic acid > 0 > NP0181595 > 7-[(5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6,6,9a,11a-tetramethyl-1-(6-methylhept-5-en-2-yl)-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3a-carboxylic acid $$$$