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

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ChEBI Name 4-Demethoxycarbonyl-2-O-methylbutyrolactone I
ChEBI ID CHEBI:226711
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O5
Net Charge 0
Average Mass 380.440
Monoisotopic Mass 380.16237
InChI InChI=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
InChIKey BWZKWLYLKYGBLH-HXUWFJFHSA-N
SMILES O=C1O[C@H](CC2=CC(=C(O)C=C2)CC=C(C)C)C(=C1OC)C3=CC=C(O)C=C3
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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