LMPK12010387 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 9.6798 10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 9.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 9.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5532 9.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5532 10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 11.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4899 9.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4267 9.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4267 10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4899 11.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3631 11.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3177 10.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2723 11.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2723 12.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3177 12.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3631 12.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7435 11.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9470 12.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 7.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0430 9.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3177 13.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0879 10.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9864 13.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7979 11.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 5.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9008 5.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 6.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9216 7.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 7.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7683 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7613 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9077 5.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 6.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 7.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 7.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9936 9.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1047 7.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2649 5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1788 7.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0048 5.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5984 8.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5736 8.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1295 7.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7095 6.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7343 6.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3143 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7502 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4404 3.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8054 3.8300 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 30 19 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 20 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 40 47 1 0 0 0 47 48 2 0 0 0 47 49 1 0 0 0 M CHG 1 10 1 M END > LMPK12010387 > Malvidin 3-(6''-acetylglucoside)-5-glucoside > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-(6"-acetylglucoside)-5-glucoside > C31H37O18 > 697.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > CXOWDWWWNNFRII-IOUFFHECSA-O > InChI=1S/C31H36O18/c1-11(33)44-10-21-24(37)26(39)28(41)31(49-21)47-19-8-14-15(45-29(19)12-4-17(42-2)22(35)18(5-12)43-3)6-13(34)7-16(14)46-30-27(40)25(38)23(36)20(9-32)48-30/h4-8,20-21,23-28,30-32,36-41H,9-10H2,1-3H3,(H-,34,35)/p+1/t20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 101918997 > - > - > - > - > - > 33090; 379956 > - $$$$