CHEBI:225159 - Tolypyridone F

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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 Tolypyridone F
ChEBI ID CHEBI:225159
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)11-21(3)19(24)17-18(26-21)16(12-22-20(17)25)14-7-9-15(23)10-8-14/h4-5,7-10,12-13,17,19,23-24H,6,11H2,1-3H3/b5-4+/t13-,17?,19+,21+/m0/s1
InChIKey BJDWUKOKPUQHCU-QMZWKTOLSA-N
SMILES O=C1N=CC(C2=CC=C(O)C=C2)=C3C1[C@@H](O)[C@](C[C@H](C/C=C/C)C)(C)O3
Metabolite of Species Details
Tolypocladiumspecies 49Y (NCBI:txid2789198) See: PubMed
ChEBI Ontology
Outgoing Tolypyridone F (CHEBI:225159) is a phenols (CHEBI:33853)
IUPAC Name
(2R,3R)-3-hydroxy-7-(4-hydroxyphenyl)-2-methyl-2-[(E,2S)-2-methylhex-4-enyl]-3,3a-dihydrouro[3,2-c]pyridin-4-one