Marvin 07111315032D 43 47 0 0 0 0 999 V2000 -1.6130 -22.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -21.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -20.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -20.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -21.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 -20.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -20.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 -20.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -21.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 -22.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -22.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -22.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 -20.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -20.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 -19.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -19.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 -19.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4586 -22.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -19.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -20.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 -20.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 -22.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -22.9427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9038 -23.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9069 -24.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1949 -24.5919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5220 -24.1817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5269 -23.3541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6235 -24.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 -25.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3445 -25.8170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0555 -25.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -25.8027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7786 -26.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0665 -27.0465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3457 -26.6396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6336 -27.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 -27.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 -27.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 -25.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 -25.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -24.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -22.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 10 2 0 0 0 0 20 21 1 0 0 0 0 10 5 1 0 0 0 0 2 22 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 1 11 2 0 0 0 0 6 4 1 0 0 0 0 10 12 1 0 0 0 0 5 6 2 0 0 0 0 8 13 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 5 1 1 0 0 0 0 25 29 1 1 0 0 0 14 21 2 0 0 0 0 29 30 1 0 0 0 0 6 7 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 20 15 2 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 2 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 17 14 1 0 0 0 0 36 37 1 6 0 0 0 3 14 1 0 0 0 0 35 38 1 6 0 0 0 2 3 2 0 0 0 0 34 39 1 1 0 0 0 9 18 1 0 0 0 0 33 40 1 6 0 0 0 8 9 1 0 0 0 0 26 41 1 6 0 0 0 15 19 1 0 0 0 0 27 42 1 1 0 0 0 3 4 1 0 0 0 0 28 43 1 6 0 0 0 M END > CHEBI:66215 > 5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside > A glycosyloxyflavone that is 3,5,6,7,4'-pentahydroxyflavonol substituted by a rutinosyl group at position 3 via a glycosidic linkage. Isolated from Daphniphyllum calycinum, it exhibits antioxidant activity. > 3 > 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C27H30O16 > 610.51750 > 610.15338 > 0 > C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C27H30O16/c1-8-15(30)20(35)22(37)26(40-8)39-7-13-17(32)21(36)23(38)27(42-13)43-25-19(34)14-12(6-11(29)16(31)18(14)33)41-24(25)9-2-4-10(28)5-3-9/h2-6,8,13,15,17,20-23,26-33,35-38H,7H2,1H3/t8-,13+,15-,17+,20+,21-,22+,23+,26+,27-/m0/s1 > QYRJNVCANQPMCH-QGAVNTNWSA-N > 9599286 $$$$