Dihydroxydione 13 (CHEBI:197544)

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CHEBI:197544 - Dihydroxydione 13

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ChEBI ID	CHEBI:197544
ChEBI Name	Dihydroxydione 13
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H35NO4S
Net Charge	0
Average Mass	421.603
Monoisotopic Mass	421.22868
SMILES	CCC(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC/C(C)=C\CC(O)/C(C)=C/c1csc(C)n1
InChI	InChI=1S/C23H35NO4S/c1-7-20(25)16(4)23(28)17(5)22(27)11-9-14(2)8-10-21(26)15(3)12-19-13-29-18(6)24-19/h8,12-13,16-17,21,23,26,28H,7,9-11H2,1-6H3/b14-8-,15-12+/t16-,17-,21?,23+/m0/s1
InChIKey	MAZMBUSHGWINCC-RHTYRPEXSA-N

Species of Metabolite	Component	Source	Comments
Myxococcus xanthus (ncbitaxon:34)	-	PubMed (14575429)

ChEBI Ontology

Outgoing Relation(s)
	Dihydroxydione 13 (CHEBI:197544) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(4R,5R,6R,10Z,14E)-5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione

Manual Xrefs	Databases
78439976	ChemSpider