CHEBI:136473 - onetine

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ChEBI Name onetine
ChEBI ID CHEBI:136473
Definition A pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H29NO8
Net Charge 0
Average Mass 399.436
Monoisotopic Mass 399.18932
InChI InChI=1S/C19H29NO8/c1-11-9-19(26,12(2)21)17(24)28-14-6-8-20(4)7-5-13(15(14)22)10-27-16(23)18(11,3)25/h5,11-12,14,21,25-26H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19+/m1/s1
InChIKey OCDRLZFZBHZTKQ-NMUBGGKPSA-N
SMILES [C@@]1([C@@H](C)O)(O)C(O[C@H]2C(C(=CCN(CC2)C)COC([C@]([C@@H](C1)C)(C)O)=O)=O)=O
Metabolite of Species Details
Jacobaea (NCBI:txid405757) Found in leaf (BTO:0000713). See: MetaboLights Study
Jacobaea (NCBI:txid405757) Found in leaf (BTO:0000713). See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): Jacobaea metabolite
Any plant metabolite that is produced by the genus Jacobaea.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing onetine (CHEBI:136473) has role Jacobaea metabolite (CHEBI:139566)
onetine (CHEBI:136473) is a enone (CHEBI:51689)
onetine (CHEBI:136473) is a macrocyclic lactone (CHEBI:63944)
onetine (CHEBI:136473) is a organic heterobicyclic compound (CHEBI:27171)
onetine (CHEBI:136473) is a pyrrolizine alkaloid (CHEBI:38521)
onetine (CHEBI:136473) is a tertiary amino compound (CHEBI:50996)
onetine (CHEBI:136473) is a triol (CHEBI:27136)
Incoming floridanine (CHEBI:136491) has functional parent onetine (CHEBI:136473)
IUPAC Name
(1R,4S,6R,7R,11Z)-4,7-dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Registry Number Type Source
5412578 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21819407 PubMed citation Europe PMC
Last Modified
09 February 2018