LMPK12010277 LIPID_MAPS_STRUCTURE_DATABASE 79 86 0 0 0 999 V2000 11.9770 10.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8251 9.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6732 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6732 10.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8251 11.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5214 9.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3695 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3695 10.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5214 11.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2170 11.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0763 10.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9358 11.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9358 12.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0763 12.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2170 12.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0666 8.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1294 11.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8251 8.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0562 13.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 10.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 10.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 11.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 12.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 13.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5726 13.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5726 14.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 15.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 14.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 13.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 15.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1126 15.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6781 16.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4288 17.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9472 18.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7153 18.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0945 17.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 18.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 19.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 19.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 19.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 18.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 17.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 19.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 17.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8472 10.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7935 12.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7935 10.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1513 9.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4990 7.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7610 5.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3718 7.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4847 4.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7399 8.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7822 8.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4567 7.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0876 6.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0453 6.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6762 5.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2634 6.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 5.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7377 7.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0594 8.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 8.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5238 7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4977 6.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7582 7.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 8.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2994 9.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4270 12.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4451 13.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0960 15.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8890 15.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0671 14.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2525 13.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2596 13.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0851 14.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8998 15.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7253 16.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 1 1 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 8 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 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 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 21 46 1 0 0 0 0 14 47 1 0 0 0 0 13 48 1 0 0 0 0 20 15 1 0 0 0 0 53 59 1 0 0 0 58 52 1 0 0 0 52 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 54 17 1 1 0 0 55 49 1 6 0 0 56 50 1 1 0 0 57 51 1 6 0 0 68 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 0 0 0 67 68 1 0 0 0 68 69 1 1 0 0 64 19 1 1 0 0 65 60 1 6 0 0 66 61 1 1 0 0 67 62 1 6 0 0 69 46 1 0 0 0 78 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 1 0 0 74 20 1 1 0 0 75 70 1 6 0 0 76 71 1 1 0 0 77 72 1 6 0 0 33 79 1 0 0 0 M CHG 1 10 1 M END > LMPK12010277 > Gentiodelphin > Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside) > C51H53O28 > 1113.27 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > CMHKKALEZOJWDP-JXKRDHHRSA-O > InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1 > C1(O)C=C2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=C(O)C(O)=CC=5)=O)O4)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=C(O)C(O)=CC=3)=O)O2)C=1 > C08641 > - > 5319 > - > - > - > 441691 > - > - > - > - > - > 33090; 2163617 > - $$$$