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CHEBI:201022 - (E)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde

ChEBI IDCHEBI:201022
ChEBI Name(E)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILESCC(=O)/C=C/[C@@H]1CCc2c(cc(CC=C(C)C)c(O)c2C=O)O1
InChIInChI=1S/C19H22O4/c1-12(2)4-6-14-10-18-16(17(11-20)19(14)22)9-8-15(23-18)7-5-13(3)21/h4-5,7,10-11,15,22H,6,8-9H2,1-3H3/b7-5+/t15-/m1/s1
InChIKeyRFIWPVOJGKXGDB-KEDPEKRHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (18758101)
ChEBI Ontology
Outgoing Relation(s)
(E)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde (CHEBI:201022) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
6-hydroxy-7-(3-methylbut-2-enyl)-2-[(E)-3-oxobut-1-enyl]-3,4-dihydro-2H-chromene-5-carbaldehyde
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