CHEBI:214472 - Terezine L

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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 L
ChEBI ID CHEBI:214472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26N2O9
Net Charge 0
Average Mass 450.444
Monoisotopic Mass 450.16383
InChI InChI=1S/C21H26N2O9/c1-9(2)13-20(32-21-18(29)17(28)16(27)12(8-24)31-21)23-14(19(22-13)30-3)15(26)10-4-6-11(25)7-5-10/h4-7,9,12,16-18,21,24-25,27-29H,8H2,1-3H3/t12-,16-,17+,18-,21+/m1/s1
InChIKey VNVRDLSPDQOAQQ-AVDSOWMKSA-N
SMILES O=C(C1=NC(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)=C(C(C)C)N=C1OC)C3=CC=C(O)C=C3
Metabolite of Species Details
Phoma (NCBI:txid37463) See: PubMed
ChEBI Ontology
Outgoing Terezine L (CHEBI:214472) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(4-hydroxyphenyl)-[3-methoxy-5-propan-2-yl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrazin-2-yl]methanone
Manual Xref Database
78442125 ChemSpider
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