LMPK12010284 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 11.8107 9.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8107 8.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6910 7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5713 8.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5713 9.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6910 9.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4515 7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3317 8.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3317 9.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4515 9.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2117 9.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1088 9.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0059 9.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0059 11.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1088 11.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2117 11.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9308 9.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9028 11.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6910 6.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9504 7.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1088 12.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9028 9.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7459 8.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9611 7.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3665 8.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2384 10.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7468 9.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 9.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9486 8.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0534 8.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 8.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3487 9.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5514 10.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6430 6.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6290 4.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9251 3.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0900 6.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4013 3.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9448 6.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7910 6.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7827 5.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9308 4.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0846 5.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2325 4.8603 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 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 17 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 20 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 10 1 M END > LMPK12010284 > Delphinidin 3,7-diglucoside > 3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium > C27H31O17 > 627.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > JVROXMCODLRLLV-LCENJUANSA-O > InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > 138864 > - > - > - > 72734296 > - > - > - > - > - > 33090; 481018 > - $$$$