EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208328 - Montagnetol

ChEBI IDCHEBI:208328
ChEBI NameMontagnetol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O7
Net Charge0
Average Mass272.253
Monoisotopic Mass272.08960
SMILESCc1cc(O)cc(O)c1C(=O)OC[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H16O7/c1-6-2-7(14)3-8(15)11(6)12(18)19-5-10(17)9(16)4-13/h2-3,9-10,13-17H,4-5H2,1H3/t9-,10+/m1/s1
InChIKeyYTCVPMVUPQABQB-ZJUUUORDSA-N
Species of MetaboliteComponentSourceComments
Roccella montagnei (ncbitaxon:91946) - PubMed (26370809)
ChEBI Ontology
Outgoing Relation(s)
Montagnetol (CHEBI:208328) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2S,3R)-2,3,4-trihydroxybutyl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
30829945ChemSpider