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CHEBI:226043 - Phellidene E

ChEBI IDCHEBI:226043
ChEBI NamePhellidene E
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FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C1CCCC(C)(C)[C@H]1[C@H]1O[C@@H]1/C(C)=C/C(=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)/b10-8+/t12-,13-,14-/m1/s1
InChIKeyWXSWBWVLEUINTC-ORCBZGKNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phellidene E (CHEBI:226043) is a epoxy fatty acid (CHEBI:61498)
IUPAC Name 
(E)-3-[(2R,3R)-3-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]oxiran-2-yl]but-2-enoic acid
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