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CHEBI:219440 - 7-butyl-6,8-dihydroxy-3(R)-pentylisochroman-1-one

ChEBI IDCHEBI:219440
ChEBI Name7-butyl-6,8-dihydroxy-3(R)-pentylisochroman-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O4
Net Charge0
Average Mass306.402
Monoisotopic Mass306.18311
SMILESCCCCC[C@@H]1Cc2cc(O)c(CCCC)c(O)c2C(=O)O1
InChIInChI=1S/C18H26O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h11,13,19-20H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyUKZZACSDAMLDLW-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Geotrichumspecies (ncbitaxon:1907943) - PubMed (12762815)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-butyl-6,8-dihydroxy-3(R)-pentylisochroman-1-one (CHEBI:219440) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
9187405ChemSpider