LMPK12112426 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 11.9918 13.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9918 12.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8639 11.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7359 12.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7358 13.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8638 13.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6081 11.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4800 12.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4801 13.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6080 13.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6084 10.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3688 13.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2577 13.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1463 13.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1463 14.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2577 15.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 14.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 13.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3818 11.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8640 10.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0351 15.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2577 16.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0351 13.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1058 11.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 10.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 11.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 13.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 12.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2524 13.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 12.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 11.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5118 12.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5188 13.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 13.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9337 12.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7477 11.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9195 9.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2886 10.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4162 8.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1998 11.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0193 11.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9282 11.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0138 10.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1942 9.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2799 8.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5576 6.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5622 6.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4306 7.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8502 8.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4210 8.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9916 7.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9915 7.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4257 7.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8551 8.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2891 9.6248 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 14 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 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 0 0 0 33 34 1 1 0 0 29 18 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 0 0 0 44 45 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 54 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 0 0 0 54 55 1 6 0 0 50 39 1 1 0 0 51 46 1 6 0 0 52 47 1 6 0 0 53 48 1 1 0 0 40 19 1 1 0 0 M END > LMPK12112426 > Myricetin 3-rutinoside-7-glucoside > > C33H40O22 > 788.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > DTSVAGTXAHLUAU-QVZRFRNPSA-N > InChI=1S/C33H40O22/c1-8-18(38)23(43)26(46)31(50-8)49-7-16-21(41)25(45)28(48)33(54-16)55-30-22(42)17-11(35)4-10(51-32-27(47)24(44)20(40)15(6-34)53-32)5-14(17)52-29(30)9-2-12(36)19(39)13(37)3-9/h2-5,8,15-16,18,20-21,23-28,31-41,43-48H,6-7H2,1H3/t8-,15+,16+,18-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=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](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259432 > - > - > - > - > - > 33090 > - $$$$