LMPK12010314 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 9.2985 11.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2865 12.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1400 11.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0818 11.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1084 12.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1853 13.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0132 13.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 13.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 12.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 11.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 11.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9172 12.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8260 13.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8290 14.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 14.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0180 14.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 10.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 13.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5878 12.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6068 14.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 15.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9153 11.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5127 10.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 8.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5488 7.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9317 9.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0351 7.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8245 10.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6231 9.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5293 8.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6397 8.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8410 8.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 8.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 4.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6312 5.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 7.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8935 6.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1854 7.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3235 5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4809 6.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4878 7.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6452 7.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 1 1 0 0 0 0 7 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 7 1 0 0 0 0 11 17 1 0 0 0 0 9 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 4 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 28 22 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 39 27 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 M CHG 1 6 1 M END > LMPK12010314 > Delphinidin 3-gentiobioside > 3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,5',7-pentahydroxyflavylium > C27H31O17 > 627.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > 3,5,7,3',4',5'-Hexahydroxyflavylium 3-glucosyl-(1-6)glucoside > WIIMVXRNTVGXEQ-LCENJUANSA-O > InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 > C12C(O)=CC(O)=CC=1[O+]=C(C1C=C(O)C(O)=C(O)C=1)C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O1)=C2 > - > HMDB0041594 > - > - > - > - > 5316496 > - > - > - > - > - > 33090; 44947 > - $$$$