LMPK12130013 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 0 0 0 0 0999 V2000 14.9623 7.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9623 8.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1147 9.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2674 8.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2674 7.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1147 7.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8929 7.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4680 8.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8929 9.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4201 9.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1888 8.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6313 8.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1215 7.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1015 7.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5915 8.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1015 9.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1215 9.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5699 8.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1283 6.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5908 10.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1147 10.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 11.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 12.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4692 12.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 9.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5275 8.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3808 6.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4347 6.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0376 5.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3926 7.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 7.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3643 9.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 10.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 11.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4073 9.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 8.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8760 8.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3771 9.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8908 10.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3918 11.2205 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 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 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 7 19 2 0 0 0 0 16 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 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 0 0 0 40 41 1 1 0 0 36 10 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 31 28 1 0 0 0 0 33 25 1 0 0 0 0 35 22 1 0 0 0 0 M END > LMPK12130013 > > 6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside) > C27H26O14 > 574.13 > Polyketides [PK] > Flavonoids [PK12] > Aurone flavonoids [PK1213] > - > > NINVIEQDXJUHKJ-YYZWBCLOSA-N > InChI=1S/C27H26O14/c1-11(28)36-10-20-25(37-12(2)29)23(35)26(38-13(3)30)27(41-20)40-18-7-5-15-21(33)19(39-24(15)22(18)34)9-14-4-6-16(31)17(32)8-14/h4-9,20,23,25-27,31-32,34-35H,10H2,1-3H3/t20-,23+,25-,26-,27-/m1/s1 > C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C(O)=C(O[C@H]1[C@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H](COC(=O)C)O1)C=C2 > - > - > - > - > - > - > 42607748 > - > - > - > - > - > 33090; 42337 > - $$$$