LMPK12112450 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 8.4505 13.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3613 14.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3613 15.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 15.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5396 15.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5396 14.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2724 13.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1832 14.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1832 15.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2724 15.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 15.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1105 15.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0177 15.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0177 16.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1105 17.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 16.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1105 18.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9049 17.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8400 15.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9885 13.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 15.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 12.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2724 12.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3012 11.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9819 12.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 10.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4271 10.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4271 9.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 8.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1669 9.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1669 10.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2971 8.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9253 9.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7566 9.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 12.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8618 10.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9286 9.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7539 12.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7245 12.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4270 11.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1592 11.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1926 10.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4901 11.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5235 11.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 8.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2582 10.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 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 3 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 15 17 1 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 8 20 1 0 0 0 0 5 21 1 0 0 0 0 1 22 1 0 0 0 0 7 23 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 28 34 1 0 0 0 0 43 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 0 0 0 42 43 1 0 0 0 43 44 1 6 0 0 39 20 1 1 0 0 40 35 1 6 0 0 41 36 1 6 0 0 42 37 1 1 0 0 35 24 1 0 0 0 0 37 45 1 0 0 0 45 46 2 0 0 0 45 47 1 0 0 0 M END > LMPK12112450 > Myricetin 3-O-(4''-O-acetyl-2''-O-galloyl)-alpha-L-rhamnopyranoside > > C30H26O17 > 658.12 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PYGGSPJDJQBCNV-PEOQMZBFSA-N > InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3/t9-,24+,25-,28+,30-/m0/s1 > C1(O)C=C(O)C=C2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](OC(C4C=C(O)C(O)=C(O)C=4)=O)[C@H](O)[C@@H](OC(C)=O)[C@H](C)O3)C(=O)C=12 > - > - > - > - > - > - > 101204094 > - > - > - > - > - > 33090 > - $$$$