CHEBI:218950 - 5-hydroxymethylasterric acid

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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 5-hydroxymethylasterric acid
ChEBI ID CHEBI:218950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H16O9
Net Charge 0
Average Mass 364.306
Monoisotopic Mass 364.07943
InChI InChI=1S/C17H16O9/c1-24-13-6-9(19)5-10(17(23)25-2)15(13)26-12-4-8(7-18)3-11(20)14(12)16(21)22/h3-6,18-20H,7H2,1-2H3,(H,21,22)
InChIKey LCKLPKVOZZBTLE-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(OC2=C(C(O)=CC(=C2)CO)C(=O)O)C(OC)=CC(=C1)O
Metabolite of Species Details
Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed
ChEBI Ontology
Outgoing 5-hydroxymethylasterric acid (CHEBI:218950) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-(hydroxymethyl)benzoic acid
Manual Xref Database
58869702 ChemSpider
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