LMPK12112425 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 7.6453 15.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6453 14.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5584 13.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4715 14.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4715 15.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5584 16.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3846 13.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2976 14.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2976 15.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3846 16.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 13.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2104 16.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1409 15.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0715 16.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0715 17.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1411 17.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2104 17.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 16.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5587 12.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6946 17.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3765 13.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1409 18.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0018 15.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1676 13.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5151 11.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9837 9.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6939 12.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4616 12.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4019 12.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5748 11.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8091 10.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8688 11.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 10.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3771 9.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 8.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 10.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 11.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 11.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0905 10.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 9.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 9.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 10.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 11.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8303 12.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 6.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 5.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 6.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 8.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 8.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6623 7.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9343 7.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 8.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9527 8.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1366 10.9021 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 14 23 1 0 0 0 0 32 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 0 0 0 32 33 1 1 0 0 29 24 1 6 0 0 30 25 1 1 0 0 31 26 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 35 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 28 21 1 1 0 0 33 55 1 0 0 0 39 55 1 1 0 0 M END > LMPK12112425 > Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside > > C33H40O22 > 788.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PAOITJREVLGEBC-PAWUGHMVSA-N > InChI=1S/C33H40O22/c1-8-18(39)23(44)25(46)32(50-8)54-29-21(42)15(6-34)52-31(27(29)48)49-7-16-20(41)24(45)26(47)33(53-16)55-30-22(43)17-11(36)4-10(35)5-14(17)51-28(30)9-2-12(37)19(40)13(38)3-9/h2-5,8,15-16,18,20-21,23-27,29,31-42,44-48H,6-7H2,1H3/t8-,15+,16+,18-,20+,21+,23+,24-,25+,26+,27+,29-,31+,32-,33-/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=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]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](O)[C@@H](CO)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 178336209 > - > - > - > - > - > 33090 > - $$$$