Nafuredin (CHEBI:212377)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212377 - Nafuredin

Take structure to advanced search

ChEBI ID	CHEBI:212377
ChEBI Name	Nafuredin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H32O4
Net Charge	0
Average Mass	360.494
Monoisotopic Mass	360.23006
SMILES	CC[C@H](C)/C=C/C=C(\C)C[C@@H](C)/C=C/C=C/[C@H]1OC(=O)[C@H](O)[C@@H]2O[C@]12C
InChI	InChI=1S/C22H32O4/c1-6-15(2)11-9-12-17(4)14-16(3)10-7-8-13-18-22(5)20(26-22)19(23)21(24)25-18/h7-13,15-16,18-20,23H,6,14H2,1-5H3/b10-7+,11-9+,13-8+,17-12+/t15-,16-,18+,19+,20-,22+/m0/s1
InChIKey	NMEGHQQRWKBPQO-IMNRXHEYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/s0040-4039(01)00355-0)

ChEBI Ontology

Outgoing Relation(s)
	Nafuredin (CHEBI:212377) is a oxacycle (CHEBI:38104)

IUPAC Name
(1R,2R,5R,6S)-5-hydroxy-1-methyl-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraenyl]-3,7-dioxabicyclo[4.1.0]heptan-4-one

Manual Xrefs	Databases
8514050	ChemSpider