EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219720 - 2'-0-methylatranorin

Default Structure
ChEBI IDCHEBI:219720
ChEBI Name2'-0-methylatranorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILESCOC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1OC
InChIInChI=1S/C20H20O8/c1-9-6-13(22)12(8-21)17(23)15(9)20(25)28-14-7-10(2)16(19(24)27-5)18(26-4)11(14)3/h6-8,22-23H,1-5H3
InChIKeyJYNMXZAQJOLHEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oropogon (ncbitaxon:237028) - DOI (10.1071/ch9891191)
ChEBI Ontology
Outgoing Relation(s)
2'-0-methylatranorin (CHEBI:219720) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-ormyl-2,4-dihydroxy-6-methylbenzoate