Tetrathioaspirochlorine (CHEBI:207918)

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CHEBI:207918 - Tetrathioaspirochlorine

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ChEBI ID	CHEBI:207918
ChEBI Name	Tetrathioaspirochlorine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H9ClN2O5S4
Net Charge	0
Average Mass	424.934
Monoisotopic Mass	423.90828
SMILES	CON1C(=O)C2NC(=O)[C@@]13Oc1cc(O)c(Cl)cc1[C@@H]3SSSS2
InChI	InChI=1S/C12H9ClN2O5S4/c1-19-15-10(17)9-14-11(18)12(15)8(21-23-24-22-9)4-2-5(13)6(16)3-7(4)20-12/h2-3,8-9,16H,1H3,(H,14,18)/t8-,9?,12+/m0/s1
InChIKey	BYQXYZWYGWKZOQ-PFCYTDGNSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus flavus (ncbitaxon:5059)	-	PubMed (16124785)

ChEBI Ontology

Outgoing Relation(s)
	Tetrathioaspirochlorine (CHEBI:207918) has functional parent α-amino acid (CHEBI:33704)
	Tetrathioaspirochlorine (CHEBI:207918) is a organonitrogen compound (CHEBI:35352)
	Tetrathioaspirochlorine (CHEBI:207918) is a organooxygen compound (CHEBI:36963)

IUPAC Name
(1S,9S)-6-chloro-5-hydroxy-17-methoxy-2-oxa-10,11,12,13-tetrathia-15,17-diazatetracyclo[12.2.2.01,9.03,8]octadeca-3,5,7-triene-16,18-dione

Manual Xrefs	Databases
9684917	ChemSpider