CHEBI:218736 - Tolypocladenol A1

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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 A1
ChEBI ID CHEBI:218736
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/c1-4-5-6-13(2)11-14(3)19(24)18-20(25)17(22-21(18)26)12-15-7-9-16(23)10-8-15/h4-5,7-10,12-14,23,25H,6,11H2,1-3H3,(H,22,26)/b5-4-,17-12-/t13-,14-/m1/s1
InChIKey RDWZVKSKGCILFF-KEPHTNDBSA-N
SMILES O=C1N/C(=C\C2=CC=C(O)C=C2)/C(=C1C(=O)[C@@H](C[C@@H](C/C=C\C)C)C)O
Metabolite of Species Details
Tolypocladium cylindrosporum (NCBI:txid38005) See: PubMed
ChEBI Ontology
Outgoing Tolypocladenol A1 (CHEBI:218736) is a phenols (CHEBI:33853)
IUPAC Name
(5Z)-3-[(Z,2R,4R)-2,4-dimethyloct-6-enoyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Manual Xref Database
78441560 ChemSpider
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