Aranazole C (CHEBI:217181)

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CHEBI:217181 - Aranazole C

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ChEBI ID	CHEBI:217181
ChEBI Name	Aranazole C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H35Cl6NO5S
Net Charge	0
Average Mass	674.342
Monoisotopic Mass	671.03671
SMILES	CCC(Cl)CC(Cl)/C=C\C(Cl)C(O)C(Cl)C(Cl)C(Cl)CC1OCO[C@@H](C(OC)c2nc(C(C)=O)cs2)C1C
InChI	InChI=1S/C25H35Cl6NO5S/c1-5-14(26)8-15(27)6-7-16(28)22(34)21(31)20(30)17(29)9-19-12(2)23(37-11-36-19)24(35-4)25-32-18(10-38-25)13(3)33/h6-7,10,12,14-17,19-24,34H,5,8-9,11H2,1-4H3/b7-6-/t12?,14?,15?,16?,17?,19?,20?,21?,22?,23-,24?/m1/s1
InChIKey	KVAGQEMNZHLCBY-FLUAYDDVSA-N

Species of Metabolite	Component	Source	Comments
Fischerellaspecies PCC 9339 (ncbitaxon:1174528)	-	PubMed (30141631)

ChEBI Ontology

Outgoing Relation(s)
	Aranazole C (CHEBI:217181) is a aromatic ketone (CHEBI:76224)

IUPAC Name
1-[2-[[(4R)-6-[(Z)-2,3,4,6,9,11-hexachloro-5-hydroxytridec-7-enyl]-5-methyl-1,3-dioxan-4-yl]-methoxymethyl]-1,3-thiazol-4-yl]ethanone

Manual Xrefs	Databases
78445748	ChemSpider