CHEBI:211439 - Fendleric acid C

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ChEBI Name Fendleric acid C
ChEBI ID CHEBI:211439
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O7
Net Charge 0
Average Mass 460.567
Monoisotopic Mass 460.24610
InChI InChI=1S/C26H36O7/c1-14-20(15-12-33-23(29)18(15)19(22(27)28)21(14)31-6)32-13-17-25(4)10-7-9-24(2,3)16(25)8-11-26(17,5)30/h16-17,30H,7-13H2,1-6H3,(H,27,28)/t16-,17+,25-,26+/m0/s1
InChIKey VZJCTOKVNRVWQZ-IMCRMFDQSA-N
SMILES O=C1OCC=2C1=C(C(OC)=C(C)C2OC[C@H]3[C@](O)(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C(=O)O
Metabolite of Species Details
Hypoxylon (NCBI:txid42308) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Fendleric acid C (CHEBI:211439) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
7-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-6-methyl-3-oxo-1H-2-benzouran-4-carboxylic acid