CHEBI:220455 - 1-demethylhyalodendrin tetrasulfide

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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 1-demethylhyalodendrin tetrasulfide
ChEBI ID CHEBI:220455
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H14N2O3S
Net Charge 0
Average Mass 278.330
Monoisotopic Mass 278.07251
InChI InChI=1S/C13H14N2O3S/c1-15-11(18)12(8-16)14-10(17)13(15,19-12)7-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H,14,17)/t12-,13-/m1/s1
InChIKey QAZCSZSBGOKDMK-CHWSQXEVSA-N
SMILES S1[C@]2(N(C)C([C@@]1(NC2=O)CO)=O)CC3=CC=CC=C3
Metabolite of Species Details
Verticillium (NCBI:txid1036719) See: PubMed
ChEBI Ontology
Outgoing 1-demethylhyalodendrin tetrasulfide (CHEBI:220455) has functional parent α-amino acid (CHEBI:33704)
1-demethylhyalodendrin tetrasulfide (CHEBI:220455) is a organonitrogen compound (CHEBI:35352)
1-demethylhyalodendrin tetrasulfide (CHEBI:220455) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4R)-1-benzyl-4-(hydroxymethyl)-2-methyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
Manual Xref Database
78438205 ChemSpider
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