Mrv1652309122200232D 27 30 0 0 1 0 999 V2000 -1.1122 -1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4703 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 -1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0436 0.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 -0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 0.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 0.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -0.0599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6193 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0019 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7951 -1.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 -1.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 -1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 -2.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 -1.5540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2730 -2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 -2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.3926 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 3 4 1 0 0 0 0 4 5 2 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 7 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 14 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 4 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 3 27 1 0 0 0 0 M END > NP0320634 > NP-MRD > C[C@H](CO)C1=C(O)C(O)=C2C(=C1O)C(=O)C1=C3C(CC[C@]23C)=C(C)C(=O)O1 > InChI=1S/C20H20O7/c1-7(6-21)10-14(22)11-13(17(25)15(10)23)20(3)5-4-9-8(2)19(26)27-18(12(9)20)16(11)24/h7,21-23,25H,4-6H2,1-3H3/t7-,20+/m1/s1 > WRUFFDREDJHSIU-GLEHDBDLSA-N > C20H20O7 > 372.373 > 372.120902984 > 6 > 47 > 37.84749136889458 > 1 > 4 > 0 > 1 > (1R)-3,4,6-trihydroxy-5-[(2S)-1-hydroxypropan-2-yl]-1,12-dimethyl-10-oxatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-2,4,6,9(16),12-pentaene-8,11-dione > 2.3642165203333336 > 0 > 4 > 0 > 10.07868866823197 > 8.224903467455794 > -2.7108678230187486 > 124.29000000000002 > 97.98369999999998 > 2 > 1 > (1R)-3,4,6-trihydroxy-5-[(2S)-1-hydroxypropan-2-yl]-1,12-dimethyl-10-oxatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-2,4,6,9(16),12-pentaene-8,11-dione > 0 > NP0320634 > (1r)-3,4,6-trihydroxy-5-[(2s)-1-hydroxypropan-2-yl]-1,12-dimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-2,4,6,9(16),12-pentaene-8,11-dione $$$$