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CHEBI:205815 - Quadricinctafuran A

ChEBI IDCHEBI:205815
ChEBI NameQuadricinctafuran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESCc1cc(C(=O)O)cc2c1O[C@H](C(C)(C)O)C2
InChIInChI=1S/C13H16O4/c1-7-4-9(12(14)15)5-8-6-10(13(2,3)16)17-11(7)8/h4-5,10,16H,6H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyDDPNJIDEGFMZNS-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27438842)
ChEBI Ontology
Outgoing Relation(s)
Quadricinctafuran A (CHEBI:205815) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2S)-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1-benzouran-5-carboxylic acid
Manual XrefsDatabases
58197073ChemSpider