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CHEBI:212906 - Arundinone A

ChEBI IDCHEBI:212906
ChEBI NameArundinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCOc1ccc(COC(C)=O)c2c1C(=O)O[C@H](C)C2
InChIInChI=1S/C14H16O5/c1-8-6-11-10(7-18-9(2)15)4-5-12(17-3)13(11)14(16)19-8/h4-5,8H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyBNLIPZURMXLZCY-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis arundinis (ncbitaxon:413604) - PubMed (23294378)
ChEBI Ontology
Outgoing Relation(s)
Arundinone A (CHEBI:212906) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[(3R)-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-5-yl]methyl acetate
Manual XrefsDatabases
78437480ChemSpider