CHEBI:212503 - Tolypocladenol C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tolypocladenol C
ChEBI ID CHEBI:212503
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H27NO4
Net Charge 0
Average Mass 357.450
Monoisotopic Mass 357.19401
InChI InChI=1S/C21H27NO4/c1-4-5-6-13(2)11-14(3)19(24)18-20(25)17(22-21(18)26)12-15-7-9-16(23)10-8-15/h4-5,7-10,13-14,17,23-24H,6,11-12H2,1-3H3,(H,22,26)/b5-4+,19-18-
InChIKey UWEVFTSLJNMTDZ-BNSIQKBXSA-N
SMILES O=C/1NC(CC2=CC=C(O)C=C2)C(\C1=C(\O)/C(CC(C/C=C/C)C)C)=O
Metabolite of Species Details
Tolypocladium (NCBI:txid29909) See: PubMed
ChEBI Ontology
Outgoing Tolypocladenol C (CHEBI:212503) is a phenols (CHEBI:33853)
IUPAC Name
(3Z)-3-[(E)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Manual Xref Database
61708441 ChemSpider
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