Mrv1533004161502182D 61 69 0 0 0 0 999 V2000 4.3030 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -3.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -3.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 -2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 -2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -2.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6282 -3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 -3.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -3.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5276 -3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1573 -3.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3337 -3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 -3.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -3.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 -4.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 -2.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2754 -3.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0990 -3.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5523 -4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 -4.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7462 -3.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5698 -3.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9401 -2.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7637 -2.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1340 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2170 -3.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0406 -3.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8467 -4.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3000 -4.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0231 -4.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6528 -4.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1820 -4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6353 -5.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2651 -6.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4415 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0712 -7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2476 -7.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5245 -7.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1542 -8.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3481 -7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8014 -8.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -7.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5420 -7.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3584 -5.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -5.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9051 -4.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 -4.3969 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 2 7 1 0 0 0 0 5 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 2 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 12 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 11 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 17 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 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 42 43 1 0 0 0 0 42 44 1 0 0 0 0 36 44 1 0 0 0 0 44 45 1 0 0 0 0 33 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 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 48 56 1 0 0 0 0 56 57 1 0 0 0 0 46 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 31 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0272561 > NP-MRD > CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C45H72O16/c1-19-9-14-45(55-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)58-42-38(53)35(50)39(60-41-37(52)34(49)32(47)22(4)57-41)29(59-42)18-54-40-36(51)33(48)31(46)21(3)56-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3 > HYFQAGKASMDZDM-UHFFFAOYSA-N > C45H72O16 > 869.055 > 868.482036238 > 16 > 133 > 95.88669996045047 > 0 > 8 > 0 > 0 > 2-[(4,5-dihydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol > 1.51 > 1.7086184503333346 > -3.68 > 1 > 9 > 0 > 12.211565176218524 > 11.76369873314259 > -3.6121823516836695 > 235.67999999999998 > 214.41840000000005 > 7 > 0 > 1.84e-01 g/l > 2-[(4,5-dihydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol > 0 > NP0272561 > 2-[(4,5-dihydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol $$$$