CHEBI:211997 - Pretenellin A

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ChEBI Name Pretenellin A
ChEBI ID CHEBI:211997
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25NO4
Net Charge 0
Average Mass 355.434
Monoisotopic Mass 355.17836
InChI InChI=1S/C21H25NO4/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(22-21(19)26)12-15-6-8-16(23)9-7-15/h5-11,13,17,23-24H,4,12H2,1-3H3,(H,22,26)/b10-5+,14-11+,19-18?/t13-,17+/m1/s1
InChIKey UHGQPXFZDZCXRO-WHLPDFMQSA-N
SMILES O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C=C/C(=C/[C@@H](CC)C)/C)=O
Metabolite of Species Details
Beauveria (NCBI:txid5581) See: PubMed
ChEBI Ontology
Outgoing Pretenellin A (CHEBI:211997) is a phenols (CHEBI:33853)
IUPAC Name
(5S)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Manual Xref Database
78436212 ChemSpider
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