Seco-Chaetomugilin A (CHEBI:206163)

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CHEBI:206163 - Seco-Chaetomugilin A

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ChEBI ID	CHEBI:206163
ChEBI Name	Seco-Chaetomugilin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H31ClO8
Net Charge	0
Average Mass	482.957
Monoisotopic Mass	482.17075
SMILES	COC(=O)[C@@H]1[C@H]2C3=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC3=C(Cl)C(=O)[C@@]2(C)O[C@]1(O)[C@H](C)[C@@H](C)O
InChI	InChI=1S/C24H31ClO8/c1-11(13(3)26)7-8-15-9-16-17(10-32-15)18-19(22(29)31-6)24(30,12(2)14(4)27)33-23(18,5)21(28)20(16)25/h7-14,18-19,26-27,30H,1-6H3/b8-7+/t11-,12-,13-,14-,18-,19+,23+,24-/m1/s1
InChIKey	FROQHXMNGOHAAZ-NCCWVHROSA-N

Species of Metabolite	Component	Source	Comments
Chaetomium globosum (ncbitaxon:38033)	-	PubMed (19597583)

ChEBI Ontology

Outgoing Relation(s)
	Seco-Chaetomugilin A (CHEBI:206163) is a cyclohexenones (CHEBI:48953)

IUPAC Name
methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-6-oxo-9,9a-dihydrouro[2,3-h]isochromene-9-carboxylate

Manual Xrefs	Databases
27024735	ChemSpider