CHEBI:80848 - Anthopleurine

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ChEBI Name Anthopleurine
ChEBI ID CHEBI:80848
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C7H15NO4
Net Charge 0
Average Mass 177.19830
Monoisotopic Mass 177.10011
InChI InChI=1S/C7H15NO4/c1-8(2,3)4-5(9)6(10)7(11)12/h5-6,9-10H,4H2,1-3H3/t5-,6+/m0/s1
InChIKey ZOPACRMLVDFSGJ-NTSWFWBYSA-N
SMILES C[N+](C)(C)C[C@H](O)[C@@H](O)C([O-])=O
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 Anthopleurine (CHEBI:80848) is a hydroxy fatty acid (CHEBI:24654)
Manual Xref Database
C16994 KEGG COMPOUND
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Registry Number Type Source
56595-17-6 CAS Registry Number KEGG COMPOUND