LMPK12110401 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 14.9622 8.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9622 7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8920 7.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8219 7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8219 8.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8920 9.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7518 7.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6817 7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6817 8.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7518 9.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6114 9.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5413 8.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4712 9.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4712 10.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5413 10.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6114 10.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7518 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8920 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4424 10.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0257 9.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7462 10.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7462 11.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4691 11.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9886 11.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 11.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 10.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 12.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 11.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4382 11.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4382 10.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8371 7.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0170 6.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3908 7.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2997 9.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 8.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0240 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1111 7.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2982 7.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3924 8.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5793 9.5225 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 40 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 0 0 0 40 41 1 1 0 0 36 20 1 1 0 0 37 32 1 6 0 0 38 33 1 1 0 0 39 34 1 6 0 0 41 21 1 0 0 0 M END > LMPK12110401 > Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside] > > C27H28O14 > 576.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Chamaemeloside > WWGLAVUKYJELNJ-KJTOLNCNSA-N > InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19-,23-,24+,25-,26-,27?/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(CC(O)=O)(C)O)=O)O2)C=C2OC(C3C=CC(O)=CC=3)=CC(=O)C2=C(O)C=1 > - > - > - > - > - > - > 101688668 > - > - > - > - > - > 33090 > - $$$$