Marvin 04151316212D 31 33 0 0 0 0 999 V2000 1.9361 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 -0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 -0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 0.6012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0791 1.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9416 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2209 2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5111 1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2154 3.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6543 2.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -1.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 -1.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3519 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7809 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0674 -1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 5 4 2 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 4 1 1 0 0 0 0 15 17 1 0 0 0 0 5 10 1 0 0 0 0 14 18 1 0 0 0 0 6 7 1 0 0 0 0 7 19 2 0 0 0 0 7 8 1 0 0 0 0 3 20 1 0 0 0 0 8 9 1 0 0 0 0 1 21 1 0 0 0 0 9 10 1 0 0 0 0 2 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 9 11 1 6 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 11 12 2 0 0 0 0 25 26 1 0 0 0 0 2 3 1 0 0 0 0 26 27 1 0 0 0 0 12 13 1 0 0 0 0 27 28 2 0 0 0 0 3 6 2 0 0 0 0 28 29 1 0 0 0 0 13 14 2 0 0 0 0 28 30 1 0 0 0 0 1 2 2 0 0 0 0 24 31 1 0 0 0 0 M END > CHEBI:66640 > nymphaeol A > A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. > 3 > 6-geranyl-3',4',5,7-tetrahydroxyflavanone > (2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one > C25H28O6 > 424.48620 > 424.18859 > 0 > CC(C)=CCC\C(C)=C\Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1 > InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1 > XCYSQFHYFNWYFP-CEMXSPGASA-N > 6013993 > 14745198; 15787448; 15974621 $$$$