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CHEBI:226711 - 4-Demethoxycarbonyl-2-O-methylbutyrolactone I

ChEBI IDCHEBI:226711
ChEBI Name4-Demethoxycarbonyl-2-O-methylbutyrolactone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O5
Net Charge0
Average Mass380.440
Monoisotopic Mass380.16237
SMILESCOC1=C(c2ccc(O)cc2)[C@@H](Cc2ccc(O)c(CC=C(C)C)c2)OC1=O
InChIInChI=1S/C23H24O5/c1-14(2)4-6-17-12-15(5-11-19(17)25)13-20-21(22(27-3)23(26)28-20)16-7-9-18(24)10-8-16/h4-5,7-12,20,24-25H,6,13H2,1-3H3/t20-/m1/s1
InChIKeyBWZKWLYLKYGBLH-HXUWFJFHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32568536)
ChEBI Ontology
Outgoing Relation(s)
4-Demethoxycarbonyl-2-O-methylbutyrolactone I (CHEBI:226711) is a phenols (CHEBI:33853)
IUPAC Name 
(2R)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-2H-uran-5-one