LMPK12110502 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 0 0 0 0 0999 V2000 9.7801 9.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 8.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1589 9.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4942 8.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 7.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6455 7.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3103 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 6.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5277 13.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5277 12.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 11.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3581 12.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3581 13.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 14.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2733 11.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1885 12.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1885 13.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2733 14.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2733 11.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8047 13.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 11.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2053 14.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1698 13.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1341 14.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1341 15.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1698 15.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2053 15.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 15.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 13.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 10.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9001 9.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 10.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8999 12.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 11.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 12.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 11.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8999 10.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0831 11.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0831 12.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 12.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 9.4267 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 7 2 0 0 0 0 7 2 1 0 0 0 0 5 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 9 2 0 0 0 0 12 15 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 13 1 0 0 0 0 15 19 2 0 0 0 0 9 20 1 0 0 0 0 11 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 17 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 35 10 1 1 0 0 1 41 2 0 0 0 1 30 1 0 0 0 M END > LMPK12110502 > Isoorientin 2''-p-hydroxybenzoate > 5,7,3',4'-Tetrahydroxyflavone 6-C-[2-p-hydroxybenzoyl-glucoside] > C28H24O13 > 568.12 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > CMHUXCFQCMZVCA-ZXZUCKGRSA-N > InChI=1S/C28H24O13/c29-10-20-23(35)25(37)27(41-28(38)11-1-4-13(30)5-2-11)26(40-20)22-17(34)9-19-21(24(22)36)16(33)8-18(39-19)12-3-6-14(31)15(32)7-12/h1-9,20,23,25-27,29-32,34-37H,10H2/t20-,23-,25+,26+,27-/m1/s1 > C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C2C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=2C=C1O)(=O)C1C=CC(O)=CC=1 > - > - > - > - > - > - > 162849368 > - > - > - > - > - > 33090; 49935 > - $$$$