LMPK12010280 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 7.6083 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 11.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 10.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 11.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 12.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 10.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2441 11.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2441 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 12.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1527 12.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0791 12.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0055 12.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0055 13.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0791 14.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1527 13.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6997 12.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9317 14.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 9.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9255 10.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0791 15.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9317 12.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8873 6.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 9.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8869 7.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3557 6.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3421 9.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 9.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9582 9.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0388 8.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2730 7.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4249 8.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6593 7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9372 11.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7785 10.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4027 9.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9585 8.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1251 7.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6427 9.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2493 10.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1720 10.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4839 9.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8773 8.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1894 7.6870 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 32 27 1 0 0 0 27 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 29 24 1 6 0 0 30 25 1 1 0 0 31 26 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 24 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 23 33 1 0 0 0 28 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010280 > Delphinidin 3-sophoroside > 3,5,7,3',4',5'-Hexahydroxyflavylium 3-glucosyl-(1->2)-glucoside > C27H31O17 > 627.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > UYLDMCQVSGIZMI-ROOKUYIKSA-O > InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1/t16-,17-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > C16307 > - > 80439 > - > - > - > 23724705 > - > - > - > - > - > 33090; 3888 > - $$$$