CHEBI:208328 - Montagnetol

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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 Montagnetol
ChEBI ID CHEBI:208328
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O7
Net Charge 0
Average Mass 272.253
Monoisotopic Mass 272.08960
InChI InChI=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
InChIKey YTCVPMVUPQABQB-ZJUUUORDSA-N
SMILES O=C(OC[C@H](O)[C@H](O)CO)C1=C(O)C=C(O)C=C1C
Metabolite of Species Details
Roccella montagnei (NCBI:txid91946) See: PubMed
ChEBI Ontology
Outgoing Montagnetol (CHEBI:208328) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name
[(2S,3R)-2,3,4-trihydroxybutyl] 2,4-dihydroxy-6-methylbenzoate
Manual Xref Database
30829945 ChemSpider
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