LMPK12112736 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 19.7950 8.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8925 9.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8925 10.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7950 11.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6974 10.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6974 9.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9900 8.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0876 9.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1852 8.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1852 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0876 7.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9900 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2828 9.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3803 8.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3803 7.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2828 7.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0876 6.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4779 9.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8925 7.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2828 6.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5998 11.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7950 12.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7935 7.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6974 12.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5131 7.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8052 6.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1025 7.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8051 9.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 9.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 8.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 7.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8051 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9538 7.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9538 8.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1025 9.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1974 7.0837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4825 6.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 7.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 9.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3566 8.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 7.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4893 7.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 7.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6486 8.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8009 9.0796 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 19 23 1 0 0 0 0 22 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 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 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 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 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 18 1 1 0 0 M END > LMPK12112736 > Quercetin 3,3'-dimethyl ether 7-rutinoside > > C29H34O16 > 638.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XRBZVEJYLXCQTD-GGQHDFQOSA-N > InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(45-17)43-12-7-14(31)18-16(8-12)44-26(27(40-3)21(18)34)11-4-5-13(30)15(6-11)39-2/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29+/m0/s1 > C1C=C(O)C(OC)=CC=1C1=C(OC)C(=O)C2C(O)=CC(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)=CC=2O1 > - > - > - > - > - > - > 102316697 > - > - > - > - > - > 33090 > - $$$$