LMPK12050177 LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 14.2217 -7.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 -7.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1499 -5.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9423 -6.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6555 -7.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6815 -7.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3698 -6.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6068 -6.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2163 -7.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -4.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 -3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 -2.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -2.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 -2.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 -4.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 -5.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 -4.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4492 -5.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 -3.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 -4.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 -5.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7129 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7129 -4.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -5.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 -3.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -2.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -4.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9194 -3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9194 -2.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -2.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0049 -5.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 3 1 0 0 0 7 6 1 0 0 0 3 4 1 0 0 0 6 5 1 0 0 0 4 5 1 0 0 0 5 1 1 1 0 0 6 2 1 1 0 0 5 8 1 0 0 0 8 9 1 0 0 0 12 18 1 6 0 0 13 19 1 1 0 0 14 20 1 6 0 0 15 21 1 1 0 0 11 10 1 1 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 17 15 1 0 0 0 11 17 1 0 0 0 16 10 1 0 0 0 39 21 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 34 28 1 0 0 0 0 35 29 2 0 0 0 0 30 36 1 0 0 0 0 31 30 2 0 0 0 0 39 31 1 0 0 0 0 32 37 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 2 0 0 0 0 7 22 1 6 0 0 30 40 1 0 0 0 M END > LMPK12050177 > Genistein 7-O-glucoside-4'-O-apioside > 3-[4-[ 3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > C26H28O14 > 564.15 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > Neobacin > MYYACPYOKARWKL-SZBHCROASA-N > InChI=1S/C26H28O14/c27-7-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-8-14(19(18)30)11-1-3-12(4-2-11)38-25-23(34)26(35,9-28)10-37-25/h1-6,8,17,20-25,27-29,31-35H,7,9-10H2/t17-,20-,21+,22-,23+,24-,25+,26-/m1/s1 > O[C@]1(CO)CO[C@@H](OC2=CC=C(C3C(C4=C(C=C(C=C4O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)OC=3)=O)C=C2)[C@@H]1O > - > - > 190384 > - > - > - > 20056175 > - > - > - > - > - > 33090; 1888375 > - $$$$