LMPK12050238 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 10.7723 9.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6847 9.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5972 9.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5092 9.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5092 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 7.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4010 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4010 9.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 9.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6851 8.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5972 7.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 6.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3464 7.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3464 6.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2507 5.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1551 6.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1551 7.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2507 8.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5972 6.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0592 5.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0592 8.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 7.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0591 7.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9538 9.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2856 10.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 10.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 9.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4342 8.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 8.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9153 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3241 10.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7714 11.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 6.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 4.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 4.0837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 6.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 4.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8971 6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6856 6.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5929 5.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7147 5.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 5.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 5.2047 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 11 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 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 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 27 1 1 6 0 0 M END > LMPK12050238 > Orobol 7-O-sophoroside > 5,7,3',4'-Tetrahydroxyisoflavone 7-O-sophoroside > C27H30O16 > 610.15 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > Compactin (Genista) > VGMFHMLQOYWYHN-XHYOFSJDSA-N > InChI=1S/C27H30O16/c28-6-16-20(34)22(36)24(38)26(41-16)43-25-23(37)21(35)17(7-29)42-27(25)40-10-4-14(32)18-15(5-10)39-8-11(19(18)33)9-1-2-12(30)13(31)3-9/h1-5,8,16-17,20-32,34-38H,6-7H2/t16-,17-,20-,21-,22+,23+,24-,25-,26+,27+/m1/s1 > O([C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=C(O)C2C(=O)C(C3C=C(O)C(O)=CC=3)=COC=2C=1 > - > - > - > - > - > - > 178335936 > - > - > - > - > - > 33090; 49818 > - $$$$