LMPK12110678 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 14.4880 8.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4880 7.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3150 7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1424 7.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1424 8.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3150 9.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9695 7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7966 7.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7966 8.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9695 9.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9695 6.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6235 9.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4665 8.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3097 9.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3097 10.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4665 10.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6235 10.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7703 9.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3150 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9092 10.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4605 11.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8382 7.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1302 6.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4275 7.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1301 9.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5365 8.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9869 8.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9869 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1301 7.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2789 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2789 8.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4275 9.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5225 6.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 5.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1119 6.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8284 8.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 8.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6745 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8144 6.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 7.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9737 8.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1259 8.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6490 13.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4692 14.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0954 13.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1865 11.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7273 11.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3679 12.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4622 13.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 13.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1880 12.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0937 11.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9069 11.3356 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 16 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 18 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 21 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 M END > LMPK12110678 > Luteolin 7-rutinoside-3'-glucoside > > C33H40O20 > 756.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > AORLKLDMGIQAME-MTQDRPTHSA-N > InChI=1S/C33H40O20/c1-10-22(38)25(41)28(44)31(48-10)47-9-20-24(40)27(43)29(45)32(53-20)49-12-5-14(36)21-15(37)7-16(50-18(21)6-12)11-2-3-13(35)17(4-11)51-33-30(46)26(42)23(39)19(8-34)52-33/h2-7,10,19-20,22-36,38-46H,8-9H2,1H3/t10-,19+,20+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=CC2OC(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258102 > - > - > - > - > - > 33090 > - $$$$