Asperlide (CHEBI:204551)

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CHEBI:204551 - Asperlide

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ChEBI ID	CHEBI:204551
ChEBI Name	Asperlide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H20O7
Net Charge	0
Average Mass	372.373
Monoisotopic Mass	372.12090
SMILES	CC[C@]1(C)OC(=O)c2c1cc(OC(=O)c1c(C)cc(O)cc1O)c(C)c2O
InChI	InChI=1S/C20H20O7/c1-5-20(4)12-8-14(10(3)17(23)16(12)19(25)27-20)26-18(24)15-9(2)6-11(21)7-13(15)22/h6-8,21-23H,5H2,1-4H3/t20-/m0/s1
InChIKey	GZOHFFLUJQDNFV-FQEVSTJZSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/j.tetlet.2016.08.040)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Asperlide (CHEBI:204551) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
[(3S)-3-ethyl-7-hydroxy-3,6-dimethyl-1-oxo-2-benzouran-5-yl] 2,4-dihydroxy-6-methylbenzoate

Manual Xrefs	Databases
78437155	ChemSpider