LMPK12120179 LIPID_MAPS_STRUCTURE_DATABASE 48 51 0 0 0 999 V2000 10.3232 -9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3232 -10.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2359 -10.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 -10.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 -9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2359 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0617 -10.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9744 -10.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9744 -9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8873 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8001 -9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7129 -8.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7129 -7.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8001 -6.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8873 -7.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0617 -11.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2359 -11.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 -8.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5834 -6.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3808 -10.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8001 -6.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4954 -10.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 -10.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 -8.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9947 -7.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -6.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 -8.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 -9.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -9.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4959 -8.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 -7.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -6.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 -11.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8226 -12.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 -11.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6799 -12.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -12.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 -11.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -11.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 -12.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -12.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 -12.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 -12.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -10.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 -6.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -7.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 -5.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4494 -7.4756 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 4 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 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 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 2 20 1 0 0 0 0 14 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 22 33 1 0 0 0 0 26 45 1 0 0 0 45 46 2 0 0 0 45 47 1 0 0 0 27 18 1 1 0 0 19 48 1 0 0 0 M END > LMPK12120179 > Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) > 3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) > C33H32O15 > 668.17 > Polyketides [PK] > Flavonoids [PK12] > Chalcones and dihydrochalcones [PK1212] > - > > CXLJITRXRSNEQL-LJGLFGHZSA-N > InChI=1S/C33H32O15/c1-16(34)45-15-26-30(42)31(43)32(48-27(39)12-6-18-4-9-21(36)22(37)13-18)33(47-26)46-25-11-7-19(28(40)29(25)41)20(35)8-3-17-5-10-24(44-2)23(38)14-17/h3-14,26,30-33,36-38,40-43H,15H2,1-2H3/b8-3+,12-6+/t26-,30-,31+,32-,33-/m1/s1 > C1(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=C(O)C=3)=O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O2)C=CC(C(=O)/C=C/C2C=C(O)C(OC)=CC=2)=C(O)C=1O > - > - > - > - > - > - > 15755770 > - > - > - > - > - > 33090 > - $$$$