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(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one

Go to external page http://purl.obolibrary.org/obo/CHEBI_65537

An isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum.

Term info

Label

(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one

Synonyms
  • (3R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydro-1H-isochromen-1-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(3R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydro-1H-isochromen-1-one [ IUPAC ]

charge

0

formula

C18H24O4

has obo namespace

chebi_ontology

has related synonym

7-butyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-one

id

CHEBI:65537

inchi

InChI=1S/C18H24O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h3,5,11,13,19-20H,4,6-10H2,1-2H3/b5-3+/t13-/m1/s1

inchikey

RNIKQZXKWIZFHL-MASHWEEQSA-N

mass

304.38080

monoisotopicmass

304.16746

smiles

CCCCc1c(O)cc2C[C@@H](CC\C=C\C)OC(=O)c2c1O