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CHEBI:168987 - Acetylpterosin C

ChEBI IDCHEBI:168987
ChEBI NameAcetylpterosin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCC(=O)OCCc1c(C)cc2c(c1C)C(=O)C(C)C2O
InChIInChI=1S/C16H20O4/c1-8-7-13-14(16(19)10(3)15(13)18)9(2)12(8)5-6-20-11(4)17/h7,10,15,18H,5-6H2,1-4H3
InChIKeyKBPAOKSMUDDOIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Acetylpterosin C (CHEBI:168987) is a indanones (CHEBI:24789)
IUPAC Name 
2-(1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl acetate
Manual XrefsDatabases
4475195ChemSpider
HMDB0030764HMDB