LMPK12010312 LIPID_MAPS_STRUCTURE_DATABASE 51 56 0 0 0 999 V2000 14.4897 13.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4239 13.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4239 14.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4897 15.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5553 14.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5553 13.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1590 15.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1703 13.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6438 13.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7461 13.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8484 13.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8484 12.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7461 11.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6438 12.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 13.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 13.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 12.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 11.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2595 13.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6578 11.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 10.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4897 16.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7011 5.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 6.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3997 7.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6893 6.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 6.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 7.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 6.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4181 10.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4035 8.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6315 7.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 10.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6519 10.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5320 10.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5234 9.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6374 8.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7574 9.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8714 8.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 11.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 9.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 7.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7531 9.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8741 6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 10.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3056 10.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 9.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1514 8.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 8.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5994 7.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 0 0 0 0 3 7 1 0 0 0 0 2 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 18 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 39 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 35 20 1 1 0 0 36 31 1 6 0 0 37 32 1 1 0 0 38 33 1 6 0 0 45 51 1 0 0 0 50 44 1 0 0 0 44 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 49 43 1 1 0 0 46 21 1 6 0 0 29 45 1 0 0 0 0 25 40 1 0 0 0 M CHG 1 10 1 M END > LMPK12010312 > Delphinidin 3,5-diglucoside-6''-O-4, 6'''-O-1-cyclic-malyl diester > 2-(3,4,5-Trihydroxyphenyl)-3,5-[2-hydroxy-1,4-dioxobutane-1,4-diylbis(oxymethylene)bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxytetrahydro-2H-pyran]-6,2-diyloxy]]-7-hydroxy-1-benzopyrylium > C31H33O20 > 725.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > LGNIUXIDANCKFR-QAGIGJJWSA-O > InChI=1S/C31H32O20/c32-10-3-15-11-5-17(28(47-15)9-1-12(33)21(37)13(34)2-9)49-31-27(43)24(40)22(38)18(50-31)7-45-20(36)6-14(35)29(44)46-8-19-23(39)25(41)26(42)30(51-19)48-16(11)4-10/h1-5,14,18-19,22-27,30-31,35,38-43H,6-8H2,(H3-,32,33,34,37)/p+1/t14?,18-,19-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1 > C1C(C2C3O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(C(OC[C@@H]5[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC6C(C=3)=C(C=C(O)C=6)[O+]=2)O5)=O)O)=O)O4)=CC(O)=C(O)C=1O > - > - > - > - > - > - > 178335870 > - > - > - > - > - > 33090; 3570 > 12657292 $$$$