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CHEBI:210907 - Asperanin A

ChEBI IDCHEBI:210907
ChEBI NameAsperanin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILESCC=C[C@H](O)[C@H]1CCc2c(cc(CC=C(C)C)c(O)c2C=O)O1
InChIInChI=1S/C19H24O4/c1-4-5-16(21)17-9-8-14-15(11-20)19(22)13(7-6-12(2)3)10-18(14)23-17/h4-6,10-11,16-17,21-22H,7-9H2,1-3H3/t16-,17+/m0/s1
InChIKeyZAWXISVPEUEYIS-DLBZAZTESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SF-5976 (ncbitaxon:1729139) - DOI (10.1016/j.tet.2017.05.060)
ChEBI Ontology
Outgoing Relation(s)
Asperanin A (CHEBI:210907) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2R)-6-hydroxy-2-[(1S)-1-hydroxybut-2-enyl]-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-5-carbaldehyde