Mrv1533004161521212D 51 57 0 0 0 0 999 V2000 0.6569 -6.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 -6.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -5.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 -6.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -5.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 -4.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -4.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -3.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -3.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -3.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -4.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -5.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 -5.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -4.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 -5.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -2.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -1.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -2.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -2.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -3.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -3.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7742 1.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 -0.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 -6.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 -7.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -7.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -8.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4355 -7.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 -7.9795 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 6 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 14 16 1 0 0 0 0 10 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 24 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 21 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 18 39 1 0 0 0 0 29 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 40 45 1 0 0 0 0 4 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 48 50 1 0 0 0 0 2 50 1 0 0 0 0 50 51 1 0 0 0 0 M END > NP0149634 > NP-MRD > CC1OC(OC2C(C)OC(CC2OC(C)=O)OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O > InChI=1S/C37H54O14/c1-18-29(41)30(42)31(43)33(48-18)51-32-19(2)47-28(14-26(32)49-20(3)39)50-22-5-10-35(17-38)24-6-9-34(4)23(21-13-27(40)46-16-21)8-12-37(34,45)25(24)7-11-36(35,44)15-22/h13,17-19,22-26,28-33,41-45H,5-12,14-16H2,1-4H3 > JPDBUGXWRYMUSG-UHFFFAOYSA-N > C37H54O14 > 722.825 > 722.351356419 > 12 > 105 > 77.31684192731124 > 0 > 5 > 0 > 0 > 6-{[2-formyl-7,11-dihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-2-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate > -0.20 > 0.7622492780000003 > -3.49 > 1 > 7 > 0 > 12.218375776686942 > 7.182632188248246 > 0.2689707751947149 > 207.73999999999995 > 175.29690000000002 > 8 > 0 > 2.32e-01 g/l > 6-{[2-formyl-7,11-dihydroxy-15-methyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-2-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate > 0 > NP0149634 > 6-{[9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate $$$$