LMPK12111769 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 11.8788 11.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8788 10.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7766 10.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6741 10.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6741 11.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7766 12.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5717 10.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4696 10.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4696 11.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5717 12.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5734 9.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3668 12.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2816 11.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1963 12.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1963 13.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2816 13.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3668 13.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9816 12.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1110 13.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4176 10.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7766 9.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1419 10.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 9.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6912 9.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2534 12.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8223 11.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 11.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2405 10.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 10.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 10.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4323 11.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 11.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 12.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0337 11.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8478 10.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0195 8.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 8.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5162 6.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2998 9.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1194 10.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0282 9.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1138 8.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2942 8.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3800 7.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6577 4.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6623 4.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5306 6.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 7.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5210 6.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0917 5.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 5.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5258 6.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9551 7.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3892 8.2248 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 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 32 33 2 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 53 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 0 0 0 53 54 1 6 0 0 49 38 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 39 20 1 1 0 0 M END > LMPK12111769 > Kaempferol 3-rutinoside-7-glucuronide > > C33H38O21 > 770.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > AVISVHAJGJXBKQ-UMULLHGQSA-N > InChI=1S/C33H38O21/c1-9-17(36)20(39)24(43)31(49-9)48-8-15-18(37)21(40)25(44)33(52-15)53-28-19(38)16-13(35)6-12(7-14(16)51-27(28)10-2-4-11(34)5-3-10)50-32-26(45)22(41)23(42)29(54-32)30(46)47/h2-7,9,15,17-18,20-26,29,31-37,39-45H,8H2,1H3,(H,46,47)/t9-,15+,17-,18+,20+,21-,22-,23-,24+,25+,26+,29-,31+,32+,33-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)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 > - > - > - > - > - > - > 44258841 > - > - > - > - > - > 33090 > - $$$$