LMPK12111803 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 999 V2000 7.6730 14.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 13.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 12.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 13.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 14.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 14.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 12.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4358 13.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4358 14.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 14.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 11.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3760 14.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3347 14.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2933 14.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2933 15.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3347 16.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3760 15.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2519 16.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1022 12.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 11.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9495 12.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4659 13.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8372 12.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2212 13.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9884 13.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4496 12.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3722 12.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8334 13.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3722 14.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4496 14.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7543 13.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5636 12.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2122 11.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5073 11.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9755 9.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0423 8.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8676 11.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5483 9.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8382 11.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5407 10.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2729 9.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 9.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6038 10.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6372 10.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2477 12.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9740 11.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 9.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3635 9.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1566 7.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3692 10.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2393 11.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1040 10.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0955 9.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2254 9.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2171 8.0845 0.0000 C 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 1 2 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 7 11 2 0 0 0 0 9 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 22 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 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 40 20 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 51 35 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 22 46 1 0 0 0 0 M END > LMPK12111803 > Petunoside > 3,5,7,4'-Tetrahydroxyflavone 3-(2"'-ferulylglucosyl) (1->2)-glucoside > C37H38O19 > 786.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > KFGIIYUDNPHGBJ-UGQSKFNOSA-N > InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)42)3-9-25(44)54-34-30(48)27(45)23(13-38)52-36(34)56-35-31(49)28(46)24(14-39)53-37(35)55-33-29(47)26-20(43)11-18(41)12-22(26)51-32(33)16-4-6-17(40)7-5-16/h2-12,23-24,27-28,30-31,34-43,45-46,48-49H,13-14H2,1H3/b9-3+/t23-,24-,27-,28-,30+,31+,34-,35-,36+,37+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=CC(O)=C(OC)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 162932595 > - > - > - > - > - > 33090; 4102 > - $$$$