Mrv1652309112222002D 41 46 0 0 1 0 999 V2000 3.0850 -3.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -2.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -3.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -3.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 -4.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1121 -3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -2.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -1.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1934 -3.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 -3.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -2.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -4.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -4.9600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6527 -5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -6.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 -7.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -7.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7146 -6.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -5.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 -4.7885 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 2 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 7 8 1 0 0 0 0 7 9 2 0 0 0 0 3 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 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 27 30 2 0 0 0 0 20 30 1 0 0 0 0 10 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 5 41 1 0 0 0 0 M END > NP0319125 > NP-MRD > COC1=CC2=C(C(=O)C[C@@H](O2)C2=CC=CC=C2)C(O)=C1[C@@H]1C[C@H](OC2=C(OC)C(O)=CC(OC)=C12)C1=CC=CC=C1 > InChI=1S/C33H30O8/c1-37-25-16-22(35)32(39-3)33-29(25)20(14-23(41-33)18-10-6-4-7-11-18)28-26(38-2)17-27-30(31(28)36)21(34)15-24(40-27)19-12-8-5-9-13-19/h4-13,16-17,20,23-24,35-36H,14-15H2,1-3H3/t20-,23-,24+/m0/s1 > HHMOLJQWUKYBGQ-NKKJXINNSA-N > C33H30O8 > 554.595 > 554.194067926 > 8 > 71 > 58.07309369378038 > 0 > 2 > 0 > 0 > (2R)-5-hydroxy-6-[(2S,4S)-7-hydroxy-5,8-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl]-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one > 6.197508736999998 > 1 > 6 > 0 > 9.805714243112172 > 8.862884156468361 > -4.211612747529083 > 103.68000000000002 > 151.99869999999996 > 6 > 0 > (2R)-5-hydroxy-6-[(2S,4S)-7-hydroxy-5,8-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl]-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one > 0 > NP0319125 > (2r)-5-hydroxy-6-[(2s,4s)-7-hydroxy-5,8-dimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-4-yl]-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one $$$$