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CHEBI:212687 - Asperentin B

ChEBI IDCHEBI:212687
ChEBI NameAsperentin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESC[C@H]1CCC[C@H](C[C@H]2Cc3c(O)c(O)cc(O)c3C(=O)O2)O1
InChIInChI=1S/C16H20O6/c1-8-3-2-4-9(21-8)5-10-6-11-14(16(20)22-10)12(17)7-13(18)15(11)19/h7-10,17-19H,2-6H2,1H3/t8-,9+,10-/m0/s1
InChIKeyVJAXQPIMLAFBFH-AEJSXWLSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (28635658)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Asperentin B (CHEBI:212687) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5,6,8-trihydroxy-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
59718424ChemSpider