Mrv1533004161518252D 33 38 0 0 0 0 999 V2000 5.0704 -4.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4692 -4.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 -4.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 -3.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -3.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -4.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -4.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -3.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7819 -3.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 -2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 -2.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1311 -0.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 -0.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6351 -2.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -2.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4426 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 -1.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 -2.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 -2.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 -2.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -2.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 -2.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 -0.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1134 -3.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 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 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 9 25 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 12 33 1 0 0 0 0 M END > NP0149456 > NP-MRD > CC(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C4(O)OCC23C1(O)C1(CO1)C4O > InChI=1S/C22H26O11/c1-8-4-11(24)13(25)18(3)10(8)5-12-19-6-31-21(28,16(18)19)17(27)20(7-30-20)22(19,29)14(15(26)33-12)32-9(2)23/h4,10,12-14,16-17,25,27-29H,5-7H2,1-3H3 > RPIKVNWZECZTBA-UHFFFAOYSA-N > C22H26O11 > 466.439 > 466.147511657 > 9 > 59 > 44.01926630793808 > 1 > 4 > 0 > 0 > 4',5',7',17'-tetrahydroxy-14',18'-dimethyl-9',16'-dioxo-3',10'-dioxaspiro[oxirane-2,6'-pentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadecan]-14'-en-8'-yl acetate > -0.59 > -1.9936944319999985 > -1.46 > 0 > 6 > 0 > 11.849474755040124 > 10.739883132522467 > -3.7015597306808248 > 172.35000000000002 > 104.0736 > 2 > 1 > 1.63e+01 g/l > 4',5',7',17'-tetrahydroxy-14',18'-dimethyl-9',16'-dioxo-3',10'-dioxaspiro[oxirane-2,6'-pentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadecan]-14'-en-8'-yl acetate > 0 > NP0149456 > 4',5',7',17'-tetrahydroxy-14',18'-dimethyl-9',16'-dioxo-3',10'-dioxaspiro[oxirane-2,6'-pentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadecan]-14'-en-8'-yl acetate $$$$