CHEBI:214478 - Terezine E

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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 Terezine E
ChEBI ID CHEBI:214478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H22N2O6
Net Charge 0
Average Mass 338.360
Monoisotopic Mass 338.14779
InChI InChI=1S/C16H22N2O6/c1-9(2)16(24-4)13(21)17-15(22,14(18-16)23-3)12(20)10-5-7-11(19)8-6-10/h5-9,12,19-20,22H,1-4H3,(H,17,21)/t12-,15+,16-/m1/s1
InChIKey IVBCBJAFOKUMAB-UHOFOFEASA-N
SMILES O=C1N[C@@](O)(C(OC)=N[C@@]1(OC)C(C)C)[C@H](O)C2=CC=C(O)C=C2
Metabolite of Species Details
Phoma (NCBI:txid37463) See: PubMed
ChEBI Ontology
Outgoing Terezine E (CHEBI:214478) is a phenols (CHEBI:33853)
IUPAC Name
(3R,6S)-6-hydroxy-6-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3,5-dimethoxy-3-propan-2-yl-1H-pyrazin-2-one
Manual Xref Database
78442126 ChemSpider
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