Aspergiside C (CHEBI:211498)

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CHEBI:211498 - Aspergiside C

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ChEBI ID	CHEBI:211498
ChEBI Name	Aspergiside C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H26O7
Net Charge	0
Average Mass	426.465
Monoisotopic Mass	426.16785
SMILES	C/C=C(\C)c1cc(O)c(C)c(O)c1C(=O)Oc1cc2c(c(O)c1C)C(=O)O[C@@]2(C)CC
InChI	InChI=1S/C24H26O7/c1-7-11(3)14-9-16(25)12(4)20(26)18(14)22(28)30-17-10-15-19(21(27)13(17)5)23(29)31-24(15,6)8-2/h7,9-10,25-27H,8H2,1-6H3/b11-7+/t24-/m0/s1
InChIKey	DAFJHRXBVKKWQR-IWXKUNQBSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/j.tet.2018.07.059)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Aspergiside C (CHEBI:211498) is a hydroxybenzoic acid (CHEBI:24676)

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

Manual Xrefs	Databases
78439195	ChemSpider