"LM_ID" "COMMON_NAME" "SYSTEMATIC_NAME" "FORMULA" "MASS" "CATEGORY" "MAIN_CLASS" "SUB_CLASS" "CLASS_LEVEL4" "SYNONYMS" "INCHI_KEY" "INCHI" "SMILES" "KEGG_ID" "HMDBID" "CHEBI_ID" "ABBREVIATION" "PUBCHEM_COMPOUND_ID" "LIPIDBANK_ID" "SWISSLIPIDS_ID" "CAYMAN_ID" "ALT_CATEGORIES" "ALT_MAIN_CLASSES" "ALT_SUB_CLASSES" "ALT_CLASS_LEVEL4S" "TAXONOMY" "CITATION" "LMPK12010067" "3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6''-O-4, 6'''-O-1-cyclic malate" "3,5-[2-Hydroxy-1,4-dioxo-1,4-butanediylbis(oxymethylene)bis[[(3R)-tetrahydro-3alpha,4beta,5alpha-trihydroxy-2H-pyran]-6beta,2beta-diyloxy]]-2-(4-hydroxyphenyl)-7-hydroxy-1-benzopyrylium" "C31H33O18" "693.166696" "Polyketides [PK]" "Flavonoids [PK12]" "Anthocyanidins [PK1201]" "-" "-" "MDSZBCFPVUABGB-PVYCLFTASA-O" "InChI=1S/C31H32O18/c32-12-3-1-11(2-4-12)28-18-7-14-16(45-28)5-13(33)6-17(14)46-30-26(40)25(39)23(37)20(49-30)10-44-29(42)15(34)8-21(35)43-9-19-22(36)24(38)27(41)31(47-18)48-19/h1-7,15,19-20,22-27,30-31,34,36-41H,8-10H2,(H-,32,33)/p+1/t15?,19-,20-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1" "C12O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C(CC(OC[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC5C(C6C=CC(O)=CC=6)=[O+]C(=CC(O)=C1)C=2C=5)O4)=O)O)=O)O3" "-" "-" "-" "-" "44256672" "-" "-" "-" "-" "-" "-" "-" "33090; 3570" "11140528"