LMPK12110256 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 13.4439 10.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3419 10.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1692 10.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5918 11.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7687 11.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 12.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 12.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 11.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 10.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 10.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5379 11.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4922 13.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9257 13.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3340 8.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3340 7.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2380 7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1421 7.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1421 8.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2380 9.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0463 7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9503 7.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9503 8.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0463 9.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0463 6.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 9.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2380 6.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9544 9.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9072 8.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8598 9.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8598 10.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9072 11.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9544 10.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8117 11.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4076 12.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 13.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0076 10.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6925 13.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1394 10.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2729 10.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2742 11.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1395 12.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0061 11.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8715 12.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3502 5.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6165 4.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8883 5.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6164 7.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4861 7.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4861 6.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6164 5.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7524 6.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7524 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 6 2 0 0 0 0 6 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 8 11 1 0 0 0 0 5 12 1 0 0 0 0 12 3 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 15 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 21 25 2 0 0 0 0 15 26 1 0 0 0 0 17 27 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 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 28 23 1 0 0 0 0 31 34 1 0 0 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 41 35 1 1 0 0 42 36 1 6 0 0 39 20 1 1 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 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 1 0 0 49 16 1 1 0 0 40 1 1 6 0 0 M END > LMPK12110256 > Isoschaftoside 2'''-ferulate > > C36H36O17 > 740.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MBGNCPLGMURTMM-LXLNSSKASA-N > InChI=1S/C36H36O17/c1-49-21-10-14(2-8-17(21)39)3-9-23(42)53-36-32(48)28(44)22(12-37)52-35(36)26-30(46)25(34-31(47)27(43)19(41)13-50-34)29(45)24-18(40)11-20(51-33(24)26)15-4-6-16(38)7-5-15/h2-11,19,22,27-28,31-32,34-39,41,43-48H,12-13H2,1H3/b9-3+/t19-,22+,27-,28+,31+,32-,34-,35-,36+/m0/s1 > O([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)=C(O)C2C(=O)C=C(C3C=CC(O)=CC=3)OC=21)C(=O)/C=C/C1C=CC(O)=C(OC)C=1 > - > - > - > - > - > - > 44257712 > - > - > - > - > - > 33090 > - $$$$