LMPK12112132 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 0 0 0 0 0999 V2000 11.2068 8.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2068 7.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 7.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 8.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 9.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8956 7.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8956 8.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 9.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 6.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7825 9.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7222 8.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6622 9.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6622 10.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7222 10.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7825 10.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 6.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6681 11.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8110 7.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7222 12.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2533 9.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4755 8.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1268 7.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1108 5.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6299 5.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3450 3.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6354 6.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4676 7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2946 6.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2865 5.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4543 5.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4463 4.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2073 7.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3001 7.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 9.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9469 10.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6402 11.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3538 9.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8049 8.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8489 8.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4466 9.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9955 10.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5931 11.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 6.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4727 4.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5685 4.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8423 6.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 6.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3420 6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 5.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9771 5.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 5.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4817 5.8378 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 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 53 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 0 0 0 52 53 1 0 0 0 53 54 1 6 0 0 49 34 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 39 22 1 1 0 0 M END > LMPK12112132 > Quercetin 3-glucoside-7-neohesperidoside > 3,5,7,3',4'-Pentahydroxyflavone 3-glucoside-7-neohesperidoside > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > RDLKKCHYZFDJST-WCJCWOOCSA-N > InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)54-30-25(45)21(41)17(8-35)52-33(30)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)29(22(18)42)53-32-27(47)24(44)20(40)16(7-34)51-32/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31-,32-,33+/m0/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 162960525 > - > - > - > - > - > 33090; 37456 > - $$$$