LMPK12111781 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 12.1410 11.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1410 10.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0323 10.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9237 10.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9237 11.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0323 12.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8150 10.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 10.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 11.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8150 12.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8150 9.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5972 12.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5055 11.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4140 12.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4140 13.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5055 13.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5972 13.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 12.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7328 10.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0323 9.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4296 13.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3587 11.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1728 10.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 8.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7136 8.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8412 6.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6248 9.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4444 10.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3532 9.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4388 8.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6192 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7050 7.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9826 4.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9872 4.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 6.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2752 7.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8460 6.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4167 5.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4165 5.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8507 6.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2801 7.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7142 8.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8248 10.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8951 11.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3943 13.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0328 13.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 14.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2870 12.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5745 11.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6075 11.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3573 12.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0698 13.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8195 14.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 8.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 7.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 7.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 10.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 8.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1786 9.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5141 8.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8627 8.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 8.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 9.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5636 9.5324 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 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 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 0 0 0 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 19 1 1 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 1 0 0 48 18 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 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 43 1 1 0 0 60 54 1 6 0 0 61 55 1 1 0 0 62 56 1 6 0 0 M END > LMPK12111781 > Kaempferol 3-rutinoside-7-sophoroside > > C39H50O25 > 918.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GTUPIAZMULBSIN-IPCMTAOJSA-N > InChI=1S/C39H50O25/c1-11-21(44)26(49)30(53)36(57-11)56-10-19-24(47)28(51)32(55)38(62-19)63-34-25(48)20-15(43)6-14(7-16(20)59-33(34)12-2-4-13(42)5-3-12)58-39-35(29(52)23(46)18(9-41)61-39)64-37-31(54)27(50)22(45)17(8-40)60-37/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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[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](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 > - > - > - > - > - > - > 44258853 > - > - > - > - > - > 33090 > - $$$$