Aranazole A (CHEBI:217170)

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CHEBI:217170 - Aranazole A

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ChEBI ID	CHEBI:217170
ChEBI Name	Aranazole A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32Cl5NO5S
Net Charge	0
Average Mass	623.854
Monoisotopic Mass	621.04438
SMILES	CCC(Cl)CC(Cl)/C=C\[C@H]1O[C@@H]1C(Cl)C(Cl)C(Cl)CC1OCO[C@@H](C(O)c2nc(C(C)=O)cs2)C1C
InChI	InChI=1S/C24H32Cl5NO5S/c1-4-13(25)7-14(26)5-6-17-23(35-17)20(29)19(28)15(27)8-18-11(2)22(34-10-33-18)21(32)24-30-16(9-36-24)12(3)31/h5-6,9,11,13-15,17-23,32H,4,7-8,10H2,1-3H3/b6-5-/t11?,13?,14?,15?,17-,18?,19?,20?,21?,22-,23+/m1/s1
InChIKey	RGMRJERYAWLGFL-BDJRNXFDSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Aranazole A (CHEBI:217170) is a aromatic ketone (CHEBI:76224)

IUPAC Name
1-[2-[hydroxy-[(4R)-5-methyl-6-[2,3,4-trichloro-4-[(2S,3R)-3-[(Z)-3,5-dichlorohept-1-enyl]oxiran-2-yl]butyl]-1,3-dioxan-4-yl]methyl]-1,3-thiazol-4-yl]ethanone

Manual Xrefs	Databases
78445746	ChemSpider