LMPK12120177 LIPID_MAPS_STRUCTURE_DATABASE 55 59 0 0 0 0 0 0 0 0999 V2000 11.2065 10.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 11.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2091 10.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7104 9.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 9.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 10.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 10.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7155 9.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 8.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 8.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 9.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4013 7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4013 6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2886 5.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1758 6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1758 7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2886 8.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0632 5.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9505 6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9505 7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8378 8.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6125 8.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6125 9.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 9.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8378 9.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0632 4.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2886 5.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5716 7.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4586 9.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4853 6.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 10.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6247 6.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6790 6.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7104 8.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1380 8.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7265 9.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6268 8.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1405 7.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1652 7.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6811 8.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1674 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6831 9.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3949 5.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9427 4.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3715 5.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8600 4.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8368 4.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3245 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2999 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7876 4.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2999 3.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3245 3.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7645 4.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7883 6.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 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 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 18 27 2 0 0 0 0 14 28 1 0 0 0 0 12 29 1 0 0 0 0 24 30 1 0 0 0 0 13 31 1 0 0 0 0 25 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 51 54 1 0 0 0 0 50 55 1 0 0 0 0 33 44 1 0 0 0 0 38 29 1 1 0 0 37 1 1 0 0 0 0 M END > LMPK12120177 > Okanin 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside) > 3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside) > C39H34O16 > 758.18 > Polyketides [PK] > Flavonoids [PK12] > Chalcones and dihydrochalcones [PK1212] > - > > VZXQHTJVWMHMSB-STAAEYCOSA-N > InChI=1S/C39H34O16/c40-23-8-1-20(2-9-23)6-15-32(46)52-19-31-36(50)37(51)38(55-33(47)16-7-22-5-13-27(43)29(45)18-22)39(54-31)53-30-14-10-24(34(48)35(30)49)25(41)11-3-21-4-12-26(42)28(44)17-21/h1-18,31,36-40,42-45,48-51H,19H2/b11-3+,15-6+,16-7+/t31-,36-,37+,38-,39-/m1/s1 > C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC(/C=C/C2C=CC(O)=C(O)C=2)=O)[C@H](OC2C=CC(C(=O)/C=C/C3C=C(O)C(O)=CC=3)=C(O)C=2O)O1)(/C=C/C1C=CC(O)=CC=1)=O > - > - > - > - > - > - > 15755766 > - > - > - > - > - > 33090; 51269 > - $$$$