CHEBI:216917 - Apteniol A

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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 Apteniol A
ChEBI ID CHEBI:216917
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O5
Net Charge 0
Average Mass 314.337
Monoisotopic Mass 314.11542
InChI InChI=1S/C18H18O5/c19-17(20)11-5-13-1-7-15(8-2-13)23-16-9-3-14(4-10-16)6-12-18(21)22/h1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22)
InChIKey UKCHMOVWJBXLBX-UHFFFAOYSA-N
SMILES O=C(O)CCC1=CC=C(OC2=CC=C(CCC(=O)O)C=C2)C=C1
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing Apteniol A (CHEBI:216917) is a aromatic ether (CHEBI:35618)
IUPAC Name
3-[4-[4-(2-carboxyethyl)phenoxy]phenyl]propanoic acid
Manual Xref Database
9820071 ChemSpider
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