CHEBI:206073 - Epiphorellic acid 3

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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 3
ChEBI ID CHEBI:206073
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O8
Net Charge 0
Average Mass 446.496
Monoisotopic Mass 446.19407
InChI InChI=1S/C24H30O8/c1-5-7-8-10-16-21(23(27)28)17(26)13-19(30-3)22(16)32-18-12-15(25)11-14(9-6-2)20(18)24(29)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey FRPPQYVAQHOWFB-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(OC2=C(OC)C=C(O)C(=C2CCCCC)C(=O)O)C=C(O)C=C1CCC
Metabolite of Species Details
Coelopogon abraxas (NCBI:txid235502) See: DOI
ChEBI Ontology
Outgoing Epiphorellic acid 3 (CHEBI:206073) is a aromatic ether (CHEBI:35618)
IUPAC Name
6-hydroxy-3-(5-hydroxy-2-methoxycarbonyl-3-propylphenoxy)-4-methoxy-2-pentylbenzoic acid
Manual Xref Database
9298297 ChemSpider
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