LMPK12010343 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 9.7026 10.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7026 9.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 9.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5065 9.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5065 10.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 11.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 9.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3104 9.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3104 10.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 11.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2909 11.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1926 10.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0946 11.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0946 12.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1926 13.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2909 12.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9029 12.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3942 9.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9703 11.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 8.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1926 13.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 10.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0741 8.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0602 6.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 5.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5402 7.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8566 5.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3886 8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2285 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2202 6.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3746 6.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5348 6.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 6.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0953 6.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7079 5.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 5.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 7.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 6.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9133 7.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1587 6.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 6.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2806 7.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3441 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 6.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 6.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 7.7120 0.0000 O 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 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 18 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 38 45 1 0 0 0 45 46 1 0 0 0 45 47 2 0 0 0 M CHG 1 10 1 M END > LMPK12010343 > Delphinidin 3-glucoside-5-(6-acetylglucoside) > 5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium > C29H33O18 > 669.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > RKQATBHJDHXYOM-BTXJZROQSA-O > InChI=1S/C29H32O18/c1-9(31)42-8-19-22(37)24(39)26(41)28(47-19)44-16-5-11(32)4-15-12(16)6-17(27(43-15)10-2-13(33)20(35)14(34)3-10)45-29-25(40)23(38)21(36)18(7-30)46-29/h2-6,18-19,21-26,28-30,36-41H,7-8H2,1H3,(H3-,32,33,34,35)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/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](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O2)=C1 > - > - > - > - > - > - > 101940276 > - > - > - > - > - > 33090; 4030 > - $$$$