Aspoquinolone C/D (CHEBI:200183)

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CHEBI:200183 - Aspoquinolone C/D

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ChEBI ID	CHEBI:200183
ChEBI Name	Aspoquinolone C/D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H33NO7
Net Charge	0
Average Mass	483.561
Monoisotopic Mass	483.22570
SMILES	COc1ccc([C@@]2(O)c3c(ccc(/C=C/C4(C)CCC(O)C(C)(C)O4)c3O)NC(=O)[C@@H]2OC)cc1
InChI	InChI=1S/C27H33NO7/c1-25(2)20(29)13-15-26(3,35-25)14-12-16-6-11-19-21(22(16)30)27(32,23(34-5)24(31)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29-30,32H,13,15H2,1-5H3,(H,28,31)/b14-12+/t20?,23-,26?,27+/m0/s1
InChIKey	UTNVYRJWGOKFBF-RPJCIHFCSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus nidulans (ncbitaxon:162425)	-	PubMed (17036148)

ChEBI Ontology

Outgoing Relation(s)
	Aspoquinolone C/D (CHEBI:200183) is a quinolines (CHEBI:26513)

IUPAC Name
(3R,4R)-4,5-dihydroxy-6-[(E)-2-(5-hydroxy-2,6,6-trimethyloxan-2-yl)ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

Manual Xrefs	Databases
17243760	ChemSpider