CHEBI:226005 - Favolasin E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Favolasin E
ChEBI ID CHEBI:226005
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O7
Net Charge 0
Average Mass 454.519
Monoisotopic Mass 454.19915
InChI InChI=1S/C26H30O7/c1-15(2)10-23-32-25(4,5)26(33-23)14-30-20-9-8-17(12-22(20)31-26)18-11-19(24(27)29-7)16(3)21(13-18)28-6/h8-13,23H,14H2,1-7H3/t23-,26+/m1/s1
InChIKey MDYUXLRGMFXISP-BVAGGSTKSA-N
SMILES O=C(OC)C1=C(C(OC)=CC(=C1)C2=CC=3O[C@]4(O[C@H](C=C(C)C)OC4(C)C)COC3C=C2)C
Metabolite of Species Details
Favolaschia (NCBI:txid139071) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Favolasin E (CHEBI:226005) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
methyl 5-[(2R,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-3-methoxy-2-methylbenzoate