LMPK12010241 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 9.8822 11.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8822 10.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8428 9.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8033 10.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8033 11.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8428 11.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 9.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 10.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 11.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 11.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6846 11.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6637 11.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6427 11.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6427 12.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6637 13.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6846 12.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9221 11.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4798 13.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8428 8.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7551 9.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6637 14.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3600 14.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9842 6.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9889 6.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 8.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 9.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 9.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8476 8.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4183 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 7.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 8.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2817 9.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7158 9.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3336 10.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1478 9.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3195 7.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6886 8.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8162 6.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 9.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4194 9.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3282 9.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4138 8.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5941 7.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6799 6.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 4.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 4.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8306 5.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2502 6.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8210 6.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3917 5.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3915 5.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8257 5.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2551 6.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 7.6498 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 21 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 19 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 38 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 39 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010241 > > Peonidin 3-rutinoside-5-glucoside > C34H43O20 > 771.23 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ABORBIAHEXNJQM-UUVHQNCVSA-O > InChI=1S/C34H42O20/c1-11-22(38)25(41)28(44)32(49-11)48-10-21-24(40)27(43)30(46)34(54-21)52-19-8-14-16(50-31(19)12-3-4-15(37)18(5-12)47-2)6-13(36)7-17(14)51-33-29(45)26(42)23(39)20(9-35)53-33/h3-8,11,20-30,32-35,38-46H,9-10H2,1-2H3,(H-,36,37)/p+1/t11-,20+,21+,22-,23+,24+,25+,26-,27-,28+,29+,30+,32+,33+,34+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)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](C)O4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 102316688 > - > - > - > - > - > 33090 > - $$$$