CHEBI:215891 - Streptosetin A

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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 Streptosetin A
ChEBI ID CHEBI:215891
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H25NO5
Net Charge 0
Average Mass 347.411
Monoisotopic Mass 347.17327
InChI InChI=1S/C19H25NO5/c1-4-10-7-12(21)14-11(6-5-9(2)16(14)23)19(10,3)17(24)15-13(22)8-20-18(15)25/h5,10-11,14,16,23-24H,4,6-8H2,1-3H3,(H,20,25)/t10-,11-,14-,16+,19-/m1/s1
InChIKey VHGTVBAZDFWWOL-XHKYUUOZSA-N
SMILES O=C1[C@@H]2[C@@H](O)C(=CC[C@H]2[C@@](C(O)=C3C(=O)NCC3=O)(C)[C@@H](C1)CC)C
Metabolite of Species Details
Actinomyces (NCBI:txid1654) See: PubMed
ChEBI Ontology
Outgoing Streptosetin A (CHEBI:215891) is a pyrrolidinone (CHEBI:38275)
IUPAC Name
3-[[(1R,2R,4aS,5R,8aR)-2-ethyl-5-hydroxy-1,6-dimethyl-4-oxo-2,3,4a,5,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
Manual Xref Database
78438099 ChemSpider
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