LMPK12050065 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 11.2796 9.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1962 10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1124 9.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1124 8.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 8.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0126 8.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0126 9.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 10.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2796 8.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1962 8.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 7.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9621 8.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9621 7.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 6.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7787 7.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7787 8.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 8.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5541 6.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 10.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 9.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0886 8.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 7.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8036 9.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7922 10.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 10.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5302 10.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3558 9.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4433 8.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 9.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8851 10.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 11.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6728 8.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5955 8.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3952 6.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9174 5.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2381 4.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5133 6.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0726 7.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0363 7.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4360 6.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8766 5.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2764 4.7812 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 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 2 0 0 0 0 6 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 15 1 0 0 0 0 1 19 1 0 0 0 0 17 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 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 1 0 0 26 19 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 1 0 0 37 18 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 M END > LMPK12050065 > 2'-Hydroxydaidzein 7,4'-di-O-glucoside > 7,2',4'-Trihydroxyisoflavone 7,4'-di-O-glucoside > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > DNPGZHRLHFUCNR-IPOZFMEPSA-N > InChI=1S/C27H30O15/c28-7-17-20(32)22(34)24(36)26(41-17)39-10-1-3-12(15(30)5-10)14-9-38-16-6-11(2-4-13(16)19(14)31)40-27-25(37)23(35)21(33)18(8-29)42-27/h1-6,9,17-18,20-30,32-37H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC2C(=O)C(C3C(O)=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1 > - > - > - > - > - > - > 101429703 > - > - > - > - > - > 33090; 3914 > - $$$$