LMPK12113219 LIPID_MAPS_STRUCTURE_DATABASE 57 62 0 0 0 999 V2000 17.1997 12.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3054 13.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3054 14.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1997 14.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0940 14.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0940 13.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4109 12.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5166 13.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6221 12.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6221 11.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5166 11.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4109 11.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7278 13.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8334 12.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8334 11.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7278 11.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5166 10.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 13.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3054 11.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7278 10.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9884 14.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1997 15.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7278 14.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8632 14.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1216 16.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0993 11.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4515 10.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 10.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 13.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7798 12.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 12.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1979 11.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 11.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4699 11.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3898 12.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4883 12.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8587 12.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6728 11.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8445 9.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2136 9.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3412 7.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1248 10.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9444 11.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8532 10.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9388 9.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1192 9.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2050 8.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4826 6.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4872 5.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3556 7.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7752 8.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3460 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9167 6.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9165 6.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3507 7.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7801 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2142 9.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 31 18 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 56 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 6 0 0 52 41 1 1 0 0 53 48 1 6 0 0 54 49 1 6 0 0 55 50 1 1 0 0 42 19 1 1 0 0 M END > LMPK12113219 > Limocitrin 3-rutinoside-7-glucoside > > C35H44O22 > 816.23 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Gossypetin 8,3'-dimethyl ether 3-rutinoside-7-glucoside > ZYMWMZFDSLSZLA-MNLXZGEJSA-N > InChI=1S/C35H44O22/c1-10-19(39)23(43)26(46)33(52-10)51-9-17-21(41)25(45)28(48)35(55-17)57-32-22(42)18-13(38)7-15(53-34-27(47)24(44)20(40)16(8-36)54-34)30(50-3)31(18)56-29(32)11-4-5-12(37)14(6-11)49-2/h4-7,10,16-17,19-21,23-28,33-41,43-48H,8-9H2,1-3H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,33+,34+,35-/m0/s1 > C1C=C(O)C(OC)=CC=1C1=C(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)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(OC)C=2O1 > - > - > - > - > - > - > 102370511 > - > - > - > - > - > 33090 > - $$$$