EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68965 - Icariside E4

ChEBI IDCHEBI:68965
ChEBI NameIcariside E4
Stars
DefinitionA natural product found in Acer saccharum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H34O10
Net Charge0
Average Mass506.548
Monoisotopic Mass506.21520
SMILESCOc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(34-13)35-18-7-6-15(11-19(18)32-2)24-17(12-28)16-9-14(5-4-8-27)10-20(33-3)25(16)36-24/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24-,26-/m0/s1
InChIKeyFYWCDZKQBWSMDD-YGYBHAICSA-N
Species of MetaboliteComponentSourceComments
Acer saccharum (ncbitaxon:4024) bark (BTO:0001301) PubMed (22032697) The air-dried powder of the bark was extracted by maceration with methanol
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Icariside E4 (CHEBI:68965) has role metabolite (CHEBI:25212)
Icariside E4 (CHEBI:68965) is a benzofurans (CHEBI:35259)
Synonym  Source
4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-alpha-L-mannopyranosideChEBI
Citations