Boletinin E (CHEBI:197608)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197608 - Boletinin E

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:197608
ChEBI Name	Boletinin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H36O5
Net Charge	0
Average Mass	404.547
Monoisotopic Mass	404.25627
SMILES	C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COC(=O)/C=C/C(=O)O
InChI	InChI=1S/C24H36O5/c1-19(10-6-12-21(3)16-17-25)8-5-9-20(2)11-7-13-22(4)18-29-24(28)15-14-23(26)27/h9-10,13-16,25H,5-8,11-12,17-18H2,1-4H3,(H,26,27)/b15-14+,19-10+,20-9+,21-16+,22-13+
InChIKey	AEHIZBVRKDBILT-KCSPCAOWSA-N

Species of Metabolite	Component	Source	Comments
Boletinus cavipes (ncbitaxon:85973)	-	PubMed (15217273)

ChEBI Ontology

Outgoing Relation(s)
	Boletinin E (CHEBI:197608) is a diterpenoid (CHEBI:23849)

IUPAC Name
(E)-4-[(2E,6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoxy]-4-oxobut-2-enoic acid

Manual Xrefs	Databases
9650039	ChemSpider