LMPK12112057 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 7.6352 13.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6352 12.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5381 11.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4410 12.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4410 13.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5381 13.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 11.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2468 12.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2468 13.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 13.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 10.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1493 13.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 13.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9897 13.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9897 14.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 15.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1493 14.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 13.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0193 11.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5381 10.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0187 15.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 16.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 10.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 8.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6858 7.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 10.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 10.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7659 9.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6770 8.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7716 8.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 9.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0465 8.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6114 7.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6742 6.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 8.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4717 9.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1771 8.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 7.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9399 7.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 9.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 10.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 6.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 5.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 7.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 8.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 8.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 7.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 6.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 7.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 8.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 9.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 9.2036 0.0000 O 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 31 26 1 0 0 0 26 27 1 0 0 0 27 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 1 0 0 28 23 1 6 0 0 29 24 1 1 0 0 30 25 1 1 0 0 41 36 1 0 0 0 36 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 6 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 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 35 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 27 19 1 1 0 0 32 53 1 0 0 0 37 53 1 1 0 0 M END > LMPK12112057 > Quercetin 3-isorhamninoside > > C33H40O20 > 756.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PWFJILMZPHBSAY-SMRKDPLKSA-N > InChI=1S/C33H40O20/c1-9-19(38)22(41)25(44)32(48-9)52-28-10(2)49-31(27(46)24(28)43)47-8-17-20(39)23(42)26(45)33(51-17)53-30-21(40)18-15(37)6-12(34)7-16(18)50-29(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-20,22-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/s1 > C1(O)=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[C@H]4[C@H](O)[C@H](O)[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 10283930 > - > - > - > - > - > 33090 > - $$$$