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CHEBI:207875 - Phellilin C

ChEBI IDCHEBI:207875
ChEBI NamePhellilin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC(=CC(=O)O)[C@@H]1OCC23CCCC(C)(C)[C@H]2[C@H]13
InChIInChI=1S/C15H22O3/c1-9(7-10(16)17)12-11-13-14(2,3)5-4-6-15(11,13)8-18-12/h7,11-13H,4-6,8H2,1-3H3,(H,16,17)/t11-,12-,13+,15?/m0/s1
InChIKeyZTYVCEZGXCLVBN-KIFYNCCSSA-N
Species of MetaboliteComponentSourceComments
Tropicoporus linteus (ncbitaxon:1659895) - DOI (10.1016/j.tetlet.2013.04.027)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phellilin C (CHEBI:207875) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
3-[(4R,5S,6R)-7,7-dimethyl-3-oxatricyclo[4.4.0.01,5]decan-4-yl]but-2-enoic acid