CHEBI:207875 - Phellilin C

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ChEBI Name Phellilin C
ChEBI ID CHEBI:207875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=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
InChIKey ZTYVCEZGXCLVBN-KIFYNCCSSA-N
SMILES O=C(O)C=C([C@@H]1OCC23[C@@H]1[C@@H]3C(CCC2)(C)C)C
Metabolite of Species Details
Tropicoporus linteus (NCBI:txid1659895) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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