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CHEBI:177612 - Salvianolic acid D

ChEBI IDCHEBI:177612
ChEBI NameSalvianolic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O10
Net Charge0
Average Mass418.354
Monoisotopic Mass418.09000
SMILESO=C(O)Cc1c(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O
InChIInChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1
InChIKeyKFCMFABBVSIHTB-WUTVXBCWSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Salvianolic acid D (CHEBI:177612) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Manual XrefsDatabases
30783500ChemSpider
Registry NumbersSources
CAS:142998-47-8ChemIDplus