CHEBI:201882 - Epiphorellic acid 2

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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 2
ChEBI ID CHEBI:201882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O9
Net Charge 0
Average Mass 488.533
Monoisotopic Mass 488.20463
InChI InChI=1S/C26H32O9/c1-5-7-8-9-18-23(25(30)31)19(29)14-21(33-3)24(18)35-20-13-17(28)12-15(10-11-16(27)6-2)22(20)26(32)34-4/h12-14,28-29H,5-11H2,1-4H3,(H,30,31)
InChIKey SGQNLWJQSWFWLJ-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(OC2=C(OC)C=C(O)C(=C2CCCCC)C(=O)O)C=C(O)C=C1CCC(=O)CC
ChEBI Ontology
Outgoing Epiphorellic acid 2 (CHEBI:201882) is a aromatic ether (CHEBI:35618)
IUPAC Name
6-hydroxy-3-[5-hydroxy-2-methoxycarbonyl-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentylbenzoic acid
Manual Xref Database
123960105 ChemSpider
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