Boletinin I (CHEBI:204349)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204349 - Boletinin I

Take structure to advanced search

ChEBI ID	CHEBI:204349
ChEBI Name	Boletinin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H36O5
Net Charge	0
Average Mass	416.558
Monoisotopic Mass	416.25627
SMILES	C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)/C(C)=C/C(=O)O
InChI	InChI=1S/C25H36O5/c1-19(9-6-10-20(2)12-8-14-22(4)18-26)11-7-13-21(3)15-16-30-25(29)23(5)17-24(27)28/h10-11,14-15,17-18H,6-9,12-13,16H2,1-5H3,(H,27,28)/b19-11+,20-10+,21-15+,22-14+,23-17+
InChIKey	AOJDLUWCHJXNCH-SDWHTVMGSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Boletinin I (CHEBI:204349) is a diterpenoid (CHEBI:23849)

IUPAC Name
(E)-3-methyl-4-oxo-4-[(2E,6E,10E,14E)-3,7,11,15-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoxy]but-2-enoic acid

Manual Xrefs	Databases
9329379	ChemSpider