LMPK12111765 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 0 0 0 0 0999 V2000 10.2046 3.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2046 2.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0340 2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8633 2.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8633 3.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0340 4.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6927 2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 2.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 3.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6927 4.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6927 1.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3508 4.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1960 3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0412 4.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0412 5.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1960 5.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3508 5.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0340 1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3756 4.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8861 5.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7647 1.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3340 0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9790 -1.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0617 -2.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6300 0.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5012 -1.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5924 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3752 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1959 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2374 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4545 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4957 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1114 1.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8747 0.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8576 -1.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2083 -1.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2143 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1030 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9860 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9773 -1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0889 -1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0802 -2.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3614 2.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8997 2.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 4.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 3.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5009 2.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6278 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 2.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7745 3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 4.1908 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 8 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 22 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 21 1 1 0 0 51 46 1 0 0 0 46 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 6 0 0 47 19 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 M END > LMPK12111765 > Kaempferol 3-neohesperidoside-7-rhamnoside > 3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one > C33H40O19 > 740.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Kaempferol 3-O-alpha-rhamnopyranosyl-(1->2)-beta-glucopyranoside-7-O-alpha-rhamnopyranoside > DDELFAUOHDSZJL-CPGGTDLHSA-N > InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1 > C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)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](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > 68879 > - > - > - > 10485148 > - > - > - > - > - > 33090; 91097 > - $$$$