LMPK12111779 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 11.9713 12.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9713 11.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8485 11.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7257 11.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7257 12.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8485 13.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6029 11.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4801 11.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4801 12.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6029 13.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6029 10.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3569 13.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2511 12.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1452 13.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1452 14.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2511 14.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3569 14.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0944 13.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4605 11.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8485 10.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1448 14.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0802 11.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3396 10.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6185 11.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3608 13.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 12.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2268 12.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2197 11.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3466 11.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 11.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4933 12.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 13.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6950 9.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8425 7.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8663 7.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1503 10.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4797 8.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1431 10.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7070 9.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2785 8.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 8.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7265 9.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7382 9.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3065 6.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1553 5.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1818 5.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9147 7.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9064 7.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3199 6.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 5.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7551 6.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3417 6.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 7.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5537 11.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5489 11.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6807 10.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2610 8.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7888 8.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6902 9.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1195 10.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1197 10.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6855 9.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2562 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8221 8.2359 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 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 27 18 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 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 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 6 0 0 48 37 1 1 0 0 49 44 1 6 0 0 50 45 1 6 0 0 51 46 1 1 0 0 38 19 1 1 0 0 58 64 1 0 0 0 63 57 1 0 0 0 57 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 1 0 0 59 33 1 1 0 0 60 54 1 6 0 0 61 55 1 1 0 0 62 56 1 6 0 0 M END > LMPK12111779 > Kaempferol 3-(2G-glucosylrutinoside)-7-glucoside > > C39H50O25 > 918.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > VQNNVXIDBZIDCO-PYKPLJMSSA-N > InChI=1S/C39H50O25/c1-11-21(44)26(49)30(53)36(57-11)56-10-19-24(47)29(52)35(64-38-32(55)28(51)23(46)18(9-41)61-38)39(62-19)63-34-25(48)20-15(43)6-14(58-37-31(54)27(50)22(45)17(8-40)60-37)7-16(20)59-33(34)12-2-4-13(42)5-3-12/h2-7,11,17-19,21-24,26-32,35-47,49-55H,8-10H2,1H3/t11-,17+,18+,19+,21-,22+,23+,24+,26+,27-,28-,29-,30+,31+,32+,35+,36+,37+,38-,39-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258851 > - > - > - > - > - > 33090 > - $$$$