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CHEBI:134302 - desmethylxanthohumol(1−)

ChEBI IDCHEBI:134302
ChEBI Namedesmethylxanthohumol(1−)
Stars
ASCII Namedesmethylxanthohumol(1-)
DefinitionA phenolate anion that is the conjugate base of xanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified22 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H19O5
Net Charge-1
Average Mass339.367
Monoisotopic Mass339.12380
SMILESCC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1[O-]
InChIInChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/p-1/b10-6+
InChIKeyFUSADYLVRMROPL-UXBLZVDNSA-M
ChEBI Ontology
Outgoing Relation(s)
desmethylxanthohumol(1−) (CHEBI:134302) is a phenolate anion (CHEBI:50525)
desmethylxanthohumol(1−) (CHEBI:134302) is conjugate base of desmethylxanthohumol (CHEBI:80489)
Incoming Relation(s)
desmethylxanthohumol (CHEBI:80489) is conjugate acid of desmethylxanthohumol(1−) (CHEBI:134302)
IUPAC Name 
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-(3-methylbut-2-en-1-yl)phenolate
Citations