EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218019 - Expansol A

ChEBI IDCHEBI:218019
ChEBI NameExpansol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O5
Net Charge0
Average Mass478.629
Monoisotopic Mass478.27192
SMILESCO[C@@](C)(CCCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O
InChIInChI=1S/C30H38O5/c1-19(2)8-7-11-30(5,34-6)27-10-9-22(16-29(27)33)15-26-21(4)14-25(18-28(26)32)35-24-13-20(3)12-23(31)17-24/h9-10,12-14,16-19,31-33H,7-8,11,15H2,1-6H3/t30-/m0/s1
InChIKeyBYIFXAQYMQCOCD-PMERELPUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20415462)
ChEBI Ontology
Outgoing Relation(s)
Expansol A (CHEBI:218019) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[[3-hydroxy-4-[(2S)-2-methoxy-6-methylheptan-2-yl]phenyl]methyl]-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol
Manual XrefsDatabases
27024810ChemSpider