CDK 1018121544 41 44 0 0 0 0 0 0 0 0999 V2000 11.3868 -17.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6824 -19.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3889 -18.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 -17.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 -18.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 -17.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6824 -20.0179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1018 -17.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -16.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3868 -16.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3974 -20.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9695 -20.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 -20.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8147 -17.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -20.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3952 -21.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 -16.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3868 -15.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8231 -21.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1103 -21.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 -20.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3945 -20.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 -20.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 -20.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 -19.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5416 -20.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 -20.0264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9610 -16.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 -15.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -15.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6837 -21.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 -20.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 -20.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 -21.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -14.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 -21.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3868 -13.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1081 -19.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2481 -19.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5382 -21.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 7 11 1 1 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 8 2 0 0 0 0 39 3 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 40 5 1 0 0 0 0 17 4 1 0 0 0 0 18 10 1 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 15 2 0 0 0 0 22 24 1 0 0 0 0 23 22 1 0 0 0 0 24 27 1 0 0 0 0 41 19 1 0 0 0 0 27 25 1 6 0 0 0 26 13 1 0 0 0 0 27 26 1 0 0 0 0 28 17 1 0 0 0 0 29 18 1 0 0 0 0 30 18 2 0 0 0 0 31 23 1 0 0 0 0 32 23 2 0 0 0 0 33 32 1 0 0 0 0 34 31 2 0 0 0 0 35 29 2 0 0 0 0 36 30 1 0 0 0 0 37 34 1 0 0 0 0 38 36 2 0 0 0 0 5 6 2 0 0 0 0 19 20 2 0 0 0 0 35 38 1 0 0 0 0 37 33 2 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 M END > CHEBI:69571 > ent-Alpinnanin A > A natural product found in Alpinia katsumadai. > 2 > (2E)-1-{2,4-dihydroxy-3-[(1R,2E,5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-one > C35H34O6 > 550.64090 > 550.23554 > 0 > COc1cc(O)c([C@H](\C=C\C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccccc1 > InChI=1S/C35H34O6/c1-41-32-23-31(39)33(35(40)34(32)30(38)22-16-25-11-6-3-7-12-25)29(26-17-20-28(37)21-18-26)14-8-13-27(36)19-15-24-9-4-2-5-10-24/h2-12,14,16-18,20-23,27,29,36-37,39-40H,13,15,19H2,1H3/b14-8+,22-16+/t27-,29-/m1/s1 > DJTINKKXBIBDGX-TXUQEAEVSA-N > 21942765 $$$$