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CHEBI:167730 - Asperulosidic acid

ChEBI IDCHEBI:167730
ChEBI NameAsperulosidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O12
Net Charge0
Average Mass432.378
Monoisotopic Mass432.12678
SMILES[H][C@@]12C(COC(C)=O)=C[C@H](O)[C@]1([H])C(C(=O)O)=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChIKeyDGDWCRWJRNMRKX-DILZHRMZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Asperulosidic acid (CHEBI:167730) is a glycoside (CHEBI:24400)
Asperulosidic acid (CHEBI:167730) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Manual XrefsDatabases
10142642ChemSpider