CHEBI:201883 - Epiphorellic acid 1

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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 Epiphorellic acid 1
ChEBI ID CHEBI:201883
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O8
Net Charge 0
Average Mass 474.550
Monoisotopic Mass 474.22537
InChI InChI=1S/C26H34O8/c1-5-7-9-11-16-13-17(27)14-20(22(16)26(31)33-4)34-24-18(12-10-8-6-2)23(25(29)30)19(28)15-21(24)32-3/h13-15,27-28H,5-12H2,1-4H3,(H,29,30)
InChIKey FVGIGMWEANQQSW-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(OC2=C(OC)C=C(O)C(=C2CCCCC)C(=O)O)C=C(O)C=C1CCCCC
ChEBI Ontology
Outgoing Epiphorellic acid 1 (CHEBI:201883) is a aromatic ether (CHEBI:35618)
IUPAC Name
6-hydroxy-3-(5-hydroxy-2-methoxycarbonyl-3-pentylphenoxy)-4-methoxy-2-pentylbenzoic acid
Manual Xref Database
156487 ChemSpider
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