Ketcher 01141915292D 1 1.00000 0.00000 0 40 44 0 1 0 999 V2000 11.8569 -8.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3137 -5.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5853 -10.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 -11.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 -10.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 -5.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 -3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1649 -6.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 -6.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4495 -2.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4495 -9.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -8.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1960 -9.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5590 -5.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 -8.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 -9.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 -10.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9928 -9.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9928 -8.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4495 -5.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5853 -8.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5853 -5.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4498 -6.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5853 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5853 -7.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4495 -3.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4498 -8.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3006 -7.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3137 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 -8.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3006 -8.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1649 -8.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0292 -7.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0292 -8.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9722 -6.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8384 -7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9684 -5.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7006 -6.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8307 -5.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6968 -5.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 1 19 1 0 0 0 2 20 1 0 0 0 2 29 1 0 0 0 16 3 1 6 0 0 17 4 1 1 0 0 18 5 1 6 0 0 22 6 1 6 0 0 24 7 1 1 0 0 8 28 1 0 0 0 8 33 1 0 0 0 9 25 1 0 0 0 26 10 1 6 0 0 11 27 1 0 0 0 12 30 1 0 0 0 13 32 2 0 0 0 14 40 1 0 0 0 15 16 1 0 0 0 15 21 1 1 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 30 1 1 0 0 20 22 1 0 0 0 20 23 1 1 0 0 21 25 2 0 0 0 21 27 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 23 28 2 0 0 0 24 26 1 0 0 0 26 29 1 0 0 0 27 31 2 0 0 0 28 31 1 0 0 0 31 32 1 0 0 0 32 34 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 35 36 2 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 2 0 0 0 38 40 2 0 0 0 39 40 1 0 0 0 M END > CHEBI:142905 > vicenin-3 > A C-glycosyl compound that is apigenin substituted by a β-D-glucosyl group and a β-D-xylosyl group at positions 6 and 8 respectively. > 3 > vicenin III; vicenin 3; apigenin 8-C-xyloside-6-C-glucoside; 6-C-glucosyl-8-C-xylosylapigenin; 6-C-glucopyranosyl-8-C-beta-D-xylopyranosylapigenin; 6-C-beta-D-glucosyl-8-C-beta-D-xylosyl-4',5,7-trihydroxyflavone; 6-beta-D-glucopyranosyl-8-beta-D-xylopyranosylapigenin; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one; 2-(4-hydroxyphenyl)-5,7-dihydroxy-6-beta-D-glucopyranosyl-8-beta-D-xylopyranosyl-4H-1-benzopyran-4-one > C26H28O14 > 564.493 > 564.14791 > 0 > O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C2=C(O)C([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5 > InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13-,17+,18-,21+,22-,23-,25+,26+/m1/s1 > MMDUKUSNQNWVET-MCIQUCDDSA-N > 59914-91-9 > 59914-91-9 > C00006380 > 20605015; 25282311; 25393509; 29156555; 30223921 $$$$