CHEBI:165236 - Tetraphyllin B sulfate

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ChEBI Name Tetraphyllin B sulfate
ChEBI ID CHEBI:165236
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H17NO10S
Net Charge 0
Average Mass 367.330
Monoisotopic Mass 367.05732
InChI InChI=1S/C12H17NO10S/c13-5-12(2-1-6(3-12)23-24(18,19)20)22-11-10(17)9(16)8(15)7(4-14)21-11/h1-2,6-11,14-17H,3-4H2,(H,18,19,20)
InChIKey OXUIYNFEUWRHJJ-UHFFFAOYSA-N
SMILES S(OC1CC(OC2OC(C(O)C(O)C2O)CO)(C=C1)C#N)(O)(=O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Tetraphyllin B sulfate (CHEBI:165236) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name
[4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulate
Manual Xrefs Databases
385112 ChemSpider
HMDB0038486 HMDB
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