LMPK12110989 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 10.7194 -10.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8082 -10.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8969 -10.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8969 -11.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8082 -12.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7194 -11.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9858 -10.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 -10.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1049 -11.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9858 -12.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 -10.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9858 -13.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8082 -13.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7164 -10.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6277 -10.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5391 -10.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5391 -9.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6277 -8.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7164 -9.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3237 -8.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2511 -9.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2511 -7.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9446 -6.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7951 -8.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 -6.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -9.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0978 -8.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 -7.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -7.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7937 -7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -7.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -10.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 -10.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -9.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -7.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 -7.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6588 -5.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4077 -8.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 -9.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -8.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7186 -7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -7.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -6.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 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 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 26 7 1 1 0 0 11 32 1 0 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 21 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M END > LMPK12110989 > Isoswertisin 2''-O-glucoside > 8-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one > C28H32O15 > 608.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > 2''-glucosylisoswertisin > XSAFLFYGYGKUKQ-QGTQAJIUSA-N > InChI=1S/C28H32O15/c1-39-15-7-13(33)18-12(32)6-14(10-2-4-11(31)5-3-10)40-25(18)19(15)26-27(23(37)21(35)16(8-29)41-26)43-28-24(38)22(36)20(34)17(9-30)42-28/h2-7,16-17,20-24,26-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1 > C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=CC(OC)=C([C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1 > - > - > - > - > - > - > 11801844 > - > - > - > - > - > 33090; 44929 > - $$$$