"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" "LMPK12010350" "-" "Petunidin 3-sophoroside" "C28H33O17" "641.171781" "Polyketides [PK]" "Flavonoids [PK12]" "Anthocyanidins [PK1201]" "-" "-" "ITUYOPAKDJPQRC-KLKIQHKLSA-O" "InChI=1S/C28H32O17/c1-40-15-3-9(2-13(33)19(15)34)25-16(6-11-12(32)4-10(31)5-14(11)41-25)42-28-26(23(38)21(36)18(8-30)44-28)45-27-24(39)22(37)20(35)17(7-29)43-27/h2-6,17-18,20-24,26-30,35-39H,7-8H2,1H3,(H3-,31,32,33,34)/p+1/t17-,18-,20-,21-,22+,23+,24-,26-,27+,28-/m1/s1" "C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1" "-" "-" "-" "-" "102574435" "-" "-" "-" "-" "-" "-" "-" "33090" "-"