(+/-)-cochlearin B (CHEBI:217803)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217803 - (+/-)-cochlearin B

Take structure to advanced search

ChEBI ID	CHEBI:217803
ChEBI Name	(+/-)-cochlearin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28O4
Net Charge	0
Average Mass	344.451
Monoisotopic Mass	344.19876
SMILES	CC(C)=CCC[C@@]1(C)OC[C@@]2(/C=C/c3cc(O)ccc3O)CC[C@@H]1O2
InChI	InChI=1S/C21H28O4/c1-15(2)5-4-10-20(3)19-9-12-21(25-19,14-24-20)11-8-16-13-17(22)6-7-18(16)23/h5-8,11,13,19,22-23H,4,9-10,12,14H2,1-3H3/b11-8+/t19-,20+,21+/m0/s1
InChIKey	SIAPIMNTTQNPND-INMUPGFOSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma (ncbitaxon:5314)	-	PubMed (29540310)

ChEBI Ontology

Outgoing Relation(s)
	(+/-)-cochlearin B (CHEBI:217803) is a hydroquinones (CHEBI:24646)

IUPAC Name
2-[(E)-2-[(1S,4R,5S)-4-methyl-4-(4-methylpent-3-enyl)-3,8-dioxabicyclo[3.2.1]octan-1-yl]ethenyl]benzene-1,4-diol