LMPK12112117 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 0 0 0 0 0999 V2000 10.2275 12.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2275 11.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 10.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9307 11.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9307 12.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 12.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 10.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6339 11.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6339 12.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 12.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7841 9.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4852 12.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3531 12.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2212 12.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2212 13.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3531 14.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4852 13.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3763 12.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5647 10.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 9.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1914 14.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3531 15.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8908 9.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2064 7.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2400 6.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2772 9.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7857 7.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2646 9.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9076 8.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5633 7.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5802 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9372 8.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 8.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5379 10.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3453 9.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5027 7.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8748 7.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7931 8.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 9.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5219 8.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6004 7.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7771 7.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 10.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 10.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3921 12.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 13.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 12.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9524 11.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9525 11.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 12.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 13.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 14.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 16 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 38 23 1 1 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 6 0 0 28 19 1 1 0 0 51 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 6 0 0 47 18 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 M END > LMPK12112117 > Quercetin 3-sambubioside-7-rhamnoside > 7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one > C32H38O20 > 742.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetin 3-xylosyl-(1->2)-glucoside-7-rhamoside > QJAVZIMXEARWKQ-IVVJKAAASA-N > InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)31(47-9)48-11-5-14(36)18-16(6-11)49-27(10-2-3-12(34)13(35)4-10)28(22(18)41)51-32-29(24(43)21(40)17(7-33)50-32)52-30-25(44)20(39)15(37)8-46-30/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30-,31-,32-/m0/s1 > C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101621376 > - > - > - > - > - > 33090; 3853 > - $$$$