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CHEBI:172806 - Salvianolic acid L

ChEBI IDCHEBI:172806
ChEBI NameSalvianolic acid L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H30O16
Net Charge0
Average Mass718.620
Monoisotopic Mass718.15338
SMILESO=C(OC(Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2ccc(O)c(O)c2C(C(=O)OC(Cc2ccc(O)c(O)c2)C(=O)O)C1c1ccc(O)c(O)c1
InChIInChI=1S/C36H30O16/c37-20-5-1-15(9-24(20)41)11-27(33(45)46)51-35(49)19-13-17-4-8-23(40)32(44)30(17)31(29(19)18-3-7-22(39)26(43)14-18)36(50)52-28(34(47)48)12-16-2-6-21(38)25(42)10-16/h1-10,13-14,27-29,31,37-44H,11-12H2,(H,45,46)(H,47,48)
InChIKeyCLZDRNKNWXDFQT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Salvianolic acid L (CHEBI:172806) is a benzenes (CHEBI:22712)
Salvianolic acid L (CHEBI:172806) is a naphthalenes (CHEBI:25477)
Salvianolic acid L (CHEBI:172806) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0037370HMDB
9940104ChemSpider