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CHEBI:191522 - 1-alpha-Acevaltrate

ChEBI IDCHEBI:191522
ChEBI Name1-alpha-Acevaltrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O10
Net Charge0
Average Mass480.510
Monoisotopic Mass480.19955
SMILESCC(=O)OCC1=COC(OC(=O)C(OC(C)=O)C(C)C)C2C1=CC(OC(=O)CC(C)C)C21CO1
InChIInChI=1S/C24H32O10/c1-12(2)7-19(27)33-18-8-17-16(9-29-14(5)25)10-30-23(20(17)24(18)11-31-24)34-22(28)21(13(3)4)32-15(6)26/h8,10,12-13,18,20-21,23H,7,9,11H2,1-6H3
InChIKeyVSUJAXGURPSNJL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
1-alpha-Acevaltrate (CHEBI:191522) has functional parent tetracarboxylic acid (CHEBI:35742)
1-alpha-Acevaltrate (CHEBI:191522) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[4-(acetyloxymethyl)-6-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 2-acetyloxy-3-methylbutanoate
Manual XrefsDatabases
35013650ChemSpider
HMDB0033653HMDB