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CHEBI:211439 - Fendleric acid C

ChEBI IDCHEBI:211439
ChEBI NameFendleric acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O7
Net Charge0
Average Mass460.567
Monoisotopic Mass460.24610
SMILESCOc1c(C)c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c2c(c1C(=O)O)C(=O)OC2
InChIInChI=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
InChIKeyVZJCTOKVNRVWQZ-IMCRMFDQSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (31476402)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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