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CHEBI:216532 - Phellinulin D

ChEBI IDCHEBI:216532
ChEBI NamePhellinulin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C1CCCC(C)(C)[C@H]1[C@H]1O[C@@H]1C(C)=CC(=O)O
InChIInChI=1S/C15H22O3/c1-9-6-5-7-15(3,4)12(9)14-13(18-14)10(2)8-11(16)17/h8,12-14H,1,5-7H2,2-4H3,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyWXSWBWVLEUINTC-MGPQQGTHSA-N
Species of MetaboliteComponentSourceComments
Tropicoporus linteus (ncbitaxon:1659895) - PubMed (30002357)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phellinulin D (CHEBI:216532) is a epoxy fatty acid (CHEBI:61498)
IUPAC Name 
3-[(2R,3R)-3-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]oxiran-2-yl]but-2-enoic acid