CHEBI:172806 - Salvianolic acid L

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Salvianolic acid L
ChEBI ID CHEBI:172806
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H30O16
Net Charge 0
Average Mass 718.620
Monoisotopic Mass 718.15338
InChI InChI=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)
InChIKey CLZDRNKNWXDFQT-UHFFFAOYSA-N
SMILES O(C(=O)C1C(C(=CC2=C1C(O)=C(O)C=C2)C(OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=O)C4=CC(O)=C(O)C=C4)C(CC5=CC(O)=C(O)C=C5)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
9940104 ChemSpider
HMDB0037370 HMDB
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