CHEBI:198784 - Terezine B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Terezine B
ChEBI ID CHEBI:198784
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22N2O5
Net Charge 0
Average Mass 322.361
Monoisotopic Mass 322.15287
InChI InChI=1S/C16H22N2O5/c1-10(2)16(23-4)13(20)17-15(21,14(18-16)22-3)12(19)11-8-6-5-7-9-11/h5-10,12,19,21H,1-4H3,(H,17,20)/t12-,15-,16+/m1/s1
InChIKey GOQWKAOJTXJMMW-WQVCFCJDSA-N
SMILES O=C1N[C@](O)(C(OC)=N[C@]1(OC)C(C)C)[C@H](O)C2=CC=CC=C2
Metabolite of Species Details
Sporormiella (NCBI:txid718228) See: DOI
ChEBI Ontology
Outgoing Terezine B (CHEBI:198784) has functional parent α-amino acid (CHEBI:33704)
Terezine B (CHEBI:198784) is a organonitrogen compound (CHEBI:35352)
Terezine B (CHEBI:198784) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6R)-6-hydroxy-6-[(R)-hydroxy(phenyl)methyl]-3,5-dimethoxy-3-propan-2-yl-1H-pyrazin-2-one
Manual Xref Database
9898349 ChemSpider
View more database links