LMPK12010315 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 999 V2000 15.0092 11.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0092 10.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8963 9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7836 10.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7836 11.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8963 11.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5581 10.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5581 11.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 11.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5225 11.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4097 11.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2969 11.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2969 12.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4097 13.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5225 12.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0919 13.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6242 9.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2889 11.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8963 8.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0977 11.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4097 14.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1959 9.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 10.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1728 9.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6612 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1259 9.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 9.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 8.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1259 8.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5659 8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 10.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9959 10.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4921 8.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0914 7.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6447 9.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6076 7.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3465 10.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2956 10.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5430 9.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8427 8.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8936 8.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1931 8.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5966 7.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5999 6.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6353 6.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1411 8.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3248 7.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1282 8.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6143 7.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1136 7.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1314 7.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6452 7.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6629 7.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5407 6.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6855 6.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1910 7.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2188 9.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6935 8.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 8.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7935 7.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8631 7.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1160 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2939 8.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5466 9.4348 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 2 0 0 0 0 23 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 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 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 1 0 0 40 21 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 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 18 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 62 20 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 61 23 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010315 > Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside) > 3,5,7,3',4',5'-Hexahydroxyflavylium 3,3'-di-glucoside-5-(6-caffeoylglucoside) > C42H47O25 > 951.24 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > BIBNUKILYWNEFA-XQCSBWSISA-O > InChI=1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(O)C=3)=O)O2)=C1 > C16354 > - > 80469 > - > - > - > 6444318 > - > - > - > - > - > 33090; 21496 > - $$$$