CHEBI:199635 - Rel-(2R,3R,4R)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate

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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 Rel-(2R,3R,4R)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
ChEBI ID CHEBI:199635
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18O7
Net Charge 0
Average Mass 286.280
Monoisotopic Mass 286.10525
InChI InChI=1S/C13H18O7/c1-6-3-8(15)4-9(16)11(6)13(19)20-5-10(17)12(18)7(2)14/h3-4,7,10,12,14-18H,5H2,1-2H3/t7-,10-,12-/m0/s1
InChIKey YCFDXHRFIXXGRO-JWYUURKGSA-N
SMILES O=C(OC[C@H](O)[C@@H](O)[C@@H](O)C)C1=C(O)C=C(O)C=C1C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: DOI
ChEBI Ontology
Outgoing Rel-(2R,3R,4R)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate (CHEBI:199635) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name
[(2S,3S,4S)-2,3,4-trihydroxypentyl] 2,4-dihydroxy-6-methylbenzoate
Manual Xref Database
78440781 ChemSpider
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