LMPK12010390 LIPID_MAPS_STRUCTURE_DATABASE 57 62 0 0 0 999 V2000 9.2614 15.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2614 14.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1462 14.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0311 14.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0311 15.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1462 16.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9160 14.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8008 14.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8008 15.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9160 16.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6854 16.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5874 15.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4893 16.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4893 17.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5874 17.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6854 17.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3768 16.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3738 17.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1462 13.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 14.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2567 9.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 9.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3480 9.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9466 8.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4179 7.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 7.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8957 8.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3055 9.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2714 9.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9305 8.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5874 18.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3738 15.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0632 16.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5118 19.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1323 11.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4196 10.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7261 11.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4404 13.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 12.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 12.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2856 11.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4264 11.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 11.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5868 12.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 13.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3323 15.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9377 14.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7502 12.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2516 12.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3432 13.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2386 14.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0425 13.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9486 12.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0533 12.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9595 11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1048 10.7541 0.0000 O 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 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 15 32 1 0 0 0 0 13 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 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 19 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 55 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 51 20 1 1 0 0 52 47 1 6 0 0 53 48 1 1 0 0 54 49 1 6 0 0 56 57 1 0 0 0 57 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010390 > Tibouchinin > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-(6-p-coumarylglucoside)-5-glucoside > C38H41O19 > 801.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Malvidin-3-(6-O-p-coumarylglucoside)-5-glucoside > KGEHZUCHEKVXEU-GRFZEYSCSA-O > InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1/t26-,27-,30-,31-,32+,33+,34-,35-,37-,38-/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=C/C4C=CC(O)=CC=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 101087211 > - > - > - > - > - > 33090; 4136 > - $$$$