CHEBI:226043 - Phellidene E

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ChEBI Name Phellidene E
ChEBI ID CHEBI:226043
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=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
InChIKey WXSWBWVLEUINTC-ORCBZGKNSA-N
SMILES O=C(O)/C=C(/[C@H]1O[C@@H]1[C@H]2C(=C)CCCC2(C)C)\C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78438798 ChemSpider
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