LMPK12110502 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 10.3447 10.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5903 9.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6299 9.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 9.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 8.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1446 7.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8477 8.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 7.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0777 14.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0777 13.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 12.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0137 13.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0137 14.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 14.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 12.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9498 13.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9498 14.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 14.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 11.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3129 14.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 11.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0253 14.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0455 14.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0654 14.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0654 16.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0455 16.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0253 16.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0851 16.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0851 14.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0896 11.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3561 10.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6279 11.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3559 13.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 12.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2255 12.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2255 11.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3559 11.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 11.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 12.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6279 13.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3106 9.9709 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 > > 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 > - > - > - > - > - > - > 44257939 > - > - > - > - > - > 33090 > - $$$$