LMPK12010265 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 7.5067 12.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4012 11.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2957 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2957 12.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4012 13.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1904 11.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0848 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0848 12.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1904 13.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 13.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8908 12.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8026 13.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8026 14.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8908 15.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9790 14.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 13.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7140 15.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4012 10.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8313 11.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8908 16.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3436 10.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5071 11.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9553 9.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8401 9.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5613 9.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3978 8.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5131 8.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7917 8.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3499 7.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1176 7.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4442 9.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7126 12.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4334 10.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2483 8.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4638 7.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8449 9.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9457 7.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7402 10.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5413 9.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4471 8.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 8.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7538 8.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8617 8.5303 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 13 33 1 0 0 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 1 0 0 34 22 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010265 > Delphinidin 3-(2''-galloylgalactoside) > 2-(3,4,5-Trihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-galloyl-beta-D-glucopyranosyl)oxy]-1-benzopyrylium > C28H25O16 > 617.11 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > DPASDXFUYSHIAA-JGSGXJSYSA-O > InChI=1S/C28H24O16/c29-8-20-23(38)24(39)26(44-27(40)10-3-16(34)22(37)17(35)4-10)28(43-20)42-19-7-12-13(31)5-11(30)6-18(12)41-25(19)9-1-14(32)21(36)15(33)2-9/h1-7,20,23-24,26,28-29,38-39H,8H2,(H7-,30,31,32,33,34,35,36,37,40)/p+1/t20-,23+,24+,26-,28-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](OC(C4C=C(O)C(O)=C(O)C=4)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256870 > - > - > - > - > - > 33090; 85961 > - $$$$