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CHEBI:226005 - Favolasin E

ChEBI IDCHEBI:226005
ChEBI NameFavolasin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O7
Net Charge0
Average Mass454.519
Monoisotopic Mass454.19915
SMILESCOC(=O)c1cc(-c2ccc3c(c2)O[C@@]2(CO3)O[C@H](C=C(C)C)OC2(C)C)cc(OC)c1C
InChIInChI=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
InChIKeyMDYUXLRGMFXISP-BVAGGSTKSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (32193929)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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