Ketcher 10281913022D 1 1.00000 0.00000 0 55 60 0 0 0 999 V2000 14.2937 -0.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0384 0.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7643 -0.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7432 -2.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1473 -1.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1521 -0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0244 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8921 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8780 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0056 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9985 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 -0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4434 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4722 -1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3517 -2.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6219 -2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6533 -3.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7425 -1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7136 -0.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8943 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8598 -3.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8527 -4.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7140 -5.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9842 -5.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1229 -4.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2545 -5.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3950 -4.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5271 -5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5194 -6.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3867 -6.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2511 -6.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6515 -6.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1579 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2304 2.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2289 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0942 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9581 2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9566 1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8245 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6994 1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7009 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8274 2.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 -0.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5669 2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5629 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 2.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2944 2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2973 3.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4276 4.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5657 3.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1630 4.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3652 2.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 -0.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6649 -4.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 27 28 1 0 0 0 8 9 1 0 0 0 28 29 2 0 0 0 9 10 1 0 0 0 29 30 1 0 0 0 10 11 1 1 0 0 30 31 2 0 0 0 31 26 1 0 0 0 6 1 1 1 0 0 12 13 1 0 0 0 29 32 1 0 0 0 13 1 1 6 0 0 13 14 1 0 0 0 14 15 1 6 0 0 14 16 1 0 0 0 34 35 2 0 0 0 16 17 1 1 0 0 35 36 1 0 0 0 36 39 2 0 0 0 16 18 1 0 0 0 38 37 2 0 0 0 37 34 1 0 0 0 38 39 1 0 0 0 18 19 1 0 0 0 18 20 1 6 0 0 12 19 1 0 0 0 7 2 1 6 0 0 11 21 1 0 0 0 8 3 1 1 0 0 38 43 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 21 22 1 0 0 0 40 44 2 0 0 0 9 4 1 6 0 0 42 45 1 0 0 0 22 23 2 0 0 0 41 46 1 0 0 0 45 47 2 0 0 0 22 24 1 0 0 0 47 48 1 0 0 0 10 5 1 0 0 0 48 49 2 0 0 0 24 25 2 0 0 0 49 50 1 0 0 0 5 6 1 0 0 0 50 51 2 0 0 0 51 45 1 0 0 0 25 26 1 0 0 0 49 52 1 0 0 0 48 33 1 0 0 0 6 7 1 0 0 0 34 53 1 0 0 0 26 27 2 0 0 0 36 54 1 0 0 0 12 46 1 1 0 0 28 55 1 0 0 0 M END > CHEBI:66284 > quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside) > A quercetin O-glycoside that is quercetin substituted by a α-6'''-caffeoylglucosyl-β-1,2-rhamnosyl residue at position 3 via glycosidic linkage. Isolated from Sedum sarmentosum, it exhibits inhibitory activity against angiotensin-converting enzyme. > 3 > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside > C36H36O19 > 772.665 > 772.18508 > 0 > O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/C=2C=CC(=C(C2)O)O)[C@H]3[C@@H](O[C@H]([C@@H]([C@H]3O)O)C)OC=4C(C5=C(C=C(C=C5OC4C6=CC(=C(C=C6)O)O)O)O)=O > InChI=1S/C36H36O19/c1-13-26(44)30(48)34(55-35-31(49)29(47)27(45)23(53-35)12-50-24(43)7-3-14-2-5-17(38)19(40)8-14)36(51-13)54-33-28(46)25-21(42)10-16(37)11-22(25)52-32(33)15-4-6-18(39)20(41)9-15/h2-11,13,23,26-27,29-31,34-42,44-45,47-49H,12H2,1H3/b7-3+/t13-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1 > YFERBGPVRSLDSL-GVZNLTFMSA-N > 10143373 > 15577228 $$$$