LMPK12112105 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 7.7865 13.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7865 12.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6687 11.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5509 12.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5509 13.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6687 14.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4332 11.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3154 12.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3154 13.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4332 14.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4332 11.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4261 14.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3252 13.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2246 14.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2246 15.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3252 15.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4261 15.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6687 10.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1868 15.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2087 11.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3252 16.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0166 10.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1768 9.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5315 7.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4649 10.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 7.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2900 10.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1939 10.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2729 9.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4502 8.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5464 9.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7237 8.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6641 12.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4722 11.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6297 9.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0009 9.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9481 7.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9191 10.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7428 11.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6486 10.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7272 9.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9035 9.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9822 8.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6783 14.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4189 15.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1400 14.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3978 12.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8933 12.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 12.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5389 13.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4120 14.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2724 13.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2653 12.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1258 12.1083 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 1 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 28 20 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 23 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 34 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M END > LMPK12112105 > Quercetin 3-sophorotrioside > > C33H40O22 > 788.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > IQBMWEYFKNVACH-MEBVLIOMSA-N > InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > C12668 > - > 32083 > - > - > - > 5282167 > - > - > - > - > - > 33090 > - $$$$