Sphaerialactonam (CHEBI:217484)

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CHEBI:217484 - Sphaerialactonam

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ChEBI ID	CHEBI:217484
ChEBI Name	Sphaerialactonam
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H19NO6
Net Charge	0
Average Mass	345.351
Monoisotopic Mass	345.12124
SMILES	C=C1OC(=O)c2c(O)cc(O)c(CN3C(=O)CC[C@@H]3C(C)=O)c2[C@@H]1C
InChI	InChI=1S/C18H19NO6/c1-8-10(3)25-18(24)17-14(22)6-13(21)11(16(8)17)7-19-12(9(2)20)4-5-15(19)23/h6,8,12,21-22H,3-5,7H2,1-2H3/t8-,12-/m1/s1
InChIKey	IDUXYDXYBIDYKD-PRHODGIISA-N

Species of Metabolite	Component	Source	Comments
Paraphaeosphaeria (ncbitaxon:125369)	-	DOI (10.1016/j.tetlet.2017.02.052)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Sphaerialactonam (CHEBI:217484) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
(5R)-5-acetyl-1-[[(4S)-6,8-dihydroxy-4-methyl-3-methylidene-1-oxo-4H-isochromen-5-yl]methyl]pyrrolidin-2-one

Manual Xrefs	Databases
78439380	ChemSpider