Napyradiomycin CNQ525.538 (CHEBI:222880)

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CHEBI:222880 - Napyradiomycin CNQ525.538

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ChEBI ID	CHEBI:222880
ChEBI Name	Napyradiomycin CNQ525.538
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32BrClO5
Net Charge	0
Average Mass	539.894
Monoisotopic Mass	538.11216
SMILES	CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O
InChI	InChI=1S/C26H32BrClO5/c1-14(2)8-7-9-15(3)10-11-26-22(31)17-12-18(29)16(4)21(30)20(17)23(32)25(26,28)13-19(27)24(5,6)33-26/h8,10,12,19,29-30H,7,9,11,13H2,1-6H3/b15-10+/t19-,25+,26+/m1/s1
InChIKey	VQGNJNAIEBZJEK-XHCSNWKWSA-N

Species of Metabolite	Component	Source	Comments
Actinomycesspecies (ncbitaxon:29317)	-	PubMed (24328269)

ChEBI Ontology

Outgoing Relation(s)
	Napyradiomycin CNQ525.538 (CHEBI:222880) is a menaquinones (CHEBI:25185)

IUPAC Name
(3R,4aR,10aS)-3-bromo-4a-chloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Manual Xrefs	Databases
31128259	ChemSpider