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CHEBI:210408 - 7-but-15-enyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-one

ChEBI IDCHEBI:210408
ChEBI Name7-but-15-enyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILESC/C=C/CC[C@@H]1Cc2cc(O)c(C/C=C/C)c(O)c2C(=O)O1
InChIInChI=1S/C18H22O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h3-6,11,13,19-20H,7-10H2,1-2H3/b5-3+,6-4+/t13-/m1/s1
InChIKeyVDHJVLMLBFZNRU-ORQLPXSXSA-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-but-15-enyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-one (CHEBI:210408) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-7-[(E)-but-2-enyl]-6,8-dihydroxy-3-[(E)-pent-3-enyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
9110783ChemSpider