Dendryphiellin A1 (CHEBI:198943)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198943 - Dendryphiellin A1

Take structure to advanced search

ChEBI ID	CHEBI:198943
ChEBI Name	Dendryphiellin A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H26O6
Net Charge	0
Average Mass	374.433
Monoisotopic Mass	374.17294
SMILES	C[C@H](/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C)CC(=O)O
InChI	InChI=1S/C21H26O6/c1-13(10-19(24)25)6-4-5-7-20(26)27-18-9-8-15-11-16(22)17(23)12-21(15,3)14(18)2/h4-9,11,13-14,17-18,23H,10,12H2,1-3H3,(H,24,25)/b6-4+,7-5+/t13-,14+,17-,18+,21-/m1/s1
InChIKey	JJBHKCNHUMUNND-DMYDHDOFSA-N

Species of Metabolite	Component	Source	Comments
Chaetoconis (ncbitaxon:565394)	-	PubMed (26995148)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Dendryphiellin A1 (CHEBI:198943) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(3S,4E,6E)-8-[[(1R,2S,7R,8aR)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]oxy]-3-methyl-8-oxoocta-4,6-dienoic acid

Manual Xrefs	Databases
10475152	ChemSpider