Mrv0541 12041312132D 34 37 0 0 0 0 999 V2000 0.9000 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8167 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 11 2 0 0 0 0 13 4 2 0 0 0 0 14 22 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 2 1 0 0 0 0 19 7 1 0 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 16 2 0 0 0 0 27 20 2 0 0 0 0 28 20 1 0 0 0 0 29 26 1 0 0 0 0 30 25 2 0 0 0 0 31 28 2 0 0 0 0 32 27 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 7 8 1 0 0 0 0 10 9 1 0 0 0 0 33 29 2 0 0 0 0 34 32 2 0 0 0 0 M END > CHEBI:68933 > (+-)-chartaceone A > A racemate composed of equimolar concentrations of chartaceone A1, A2, A3 and A4. It has been isolated from the barks of Cryptocarya chartacea. > 3 > rac-(6E)-5-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-6-yl)-7-phenylhept-6-enoic acid > C28H26O6 > 458.50240 > 458.17294 > 0 > OC(=O)CCCC(\C=C\c1ccccc1)c1c(O)cc2OC(CC(=O)c2c1O)c1ccccc1 > InChI=1S/C28H26O6/c29-21-17-24-27(22(30)16-23(34-24)19-10-5-2-6-11-19)28(33)26(21)20(12-7-13-25(31)32)15-14-18-8-3-1-4-9-18/h1-6,8-11,14-15,17,20,23,29,33H,7,12-13,16H2,(H,31,32)/b15-14+ > SBOVSSLXUHHHLZ-CCEZHUSRSA-N > 22123619 > 22050318 $$$$