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CHEBI:203361 - Aspergillumarin B

ChEBI IDCHEBI:203361
ChEBI NameAspergillumarin B
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SubmitterMetaboLights
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FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESC[C@H](O)CCC[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C14H18O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,9,11,15-16H,2,4,6,8H2,1H3/t9-,11+/m0/s1
InChIKeyJDIGWVAMJGGRBY-GXSJLCMTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1007/s10600-012-0254-9)
ChEBI Ontology
Outgoing Relation(s)
Aspergillumarin B (CHEBI:203361) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-8-hydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
29416663ChemSpider