LMPK12112096 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 7.6150 12.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6203 11.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5031 10.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3804 11.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3752 12.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 12.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 10.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1406 11.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1353 12.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2526 12.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 9.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0125 12.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9122 12.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8065 12.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8012 13.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9013 14.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0072 13.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 12.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5083 9.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3999 14.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1329 10.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8961 15.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3810 11.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3523 11.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0330 9.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 9.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9835 7.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0781 9.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7213 10.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7092 10.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0494 9.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4061 8.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7464 7.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9693 5.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2287 4.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5076 5.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2498 7.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7543 6.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1158 6.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1088 5.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2356 5.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3752 5.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3823 6.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5218 7.3164 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 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 39 27 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 28 21 1 1 0 0 M END > LMPK12112096 > Quercetin 3-gentiobioside > > C27H30O17 > 626.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > FDRQPMVGJOQVTL-DEFKTLOSSA-N > InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(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](CO)O4)O3)C(=O)C=2C(O)=C1 > - > - > 136778 > - > - > - > 5320834 > - > - > - > - > - > 33090 > - $$$$