Albaconol (CHEBI:202365)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202365 - Albaconol

Take structure to advanced search

ChEBI ID	CHEBI:202365
ChEBI Name	Albaconol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H34O3
Net Charge	0
Average Mass	346.511
Monoisotopic Mass	346.25079
SMILES	Cc1cc(O)c(C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c(O)c1
InChI	InChI=1S/C22H34O3/c1-14-11-16(23)15(17(24)12-14)13-19-21(4)9-6-8-20(2,3)18(21)7-10-22(19,5)25/h11-12,18-19,23-25H,6-10,13H2,1-5H3/t18-,19+,21-,22+/m0/s1
InChIKey	APLGGFLATUGFCO-YUVXSKOASA-N

Species of Metabolite	Component	Source	Comments
Albatrellopsis confluens (ncbitaxon:2925186)	-	DOI (10.1002/1522-2675(20010131)84:1%3c259::aid-hlca259%3e3.0.co;2-o)

ChEBI Ontology

Outgoing Relation(s)
	Albaconol (CHEBI:202365) is a resorcinols (CHEBI:33572)

IUPAC Name
2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-methylbenzene-1,3-diol

Manual Xrefs	Databases
4476059	ChemSpider