Mrv1652304292203102D 23 25 0 0 1 0 999 V2000 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 0 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 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 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 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 1 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 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 C 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 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 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 5.0013 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 3 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 1 15 1 0 0 0 0 14 16 1 1 0 0 0 13 17 1 6 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 20 23 1 0 0 0 0 M END > NP0080113 > NP-MRD > COC1=CC(OC)=C(C)C2=C1C[C@H](O)[C@H](O2)C1=CC=C(O)C=C1 > InChI=1S/C18H20O5/c1-10-15(21-2)9-16(22-3)13-8-14(20)18(23-17(10)13)11-4-6-12(19)7-5-11/h4-7,9,14,18-20H,8H2,1-3H3/t14-,18+/m0/s1 > ZCERTFNXYPDOND-KBXCAEBGSA-N > C18H20O5 > 316.353 > 316.131073744 > 5 > 43 > 33.398332450418636 > 1 > 2 > 0 > 1 > (2R,3S)-2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-1-benzopyran-3-ol > 2.42 > 2.903881838333333 > -3.46 > 0 > 3 > 0 > 13.930342247825848 > 9.469820479384726 > -3.284565648950217 > 68.15 > 86.0246 > 3 > 1 > 1.09e-01 g/l > (2R,3S)-2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-1-benzopyran-3-ol > 0 > NP0080113 > Tupichinol B $$$$