CHEBI:4768 - elatine

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ChEBI Name elatine
ChEBI ID CHEBI:4768
Definition A diterpene alkaloid isolated from Delphinium shawurense.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H50N2O10
Net Charge 0
Average Mass 694.81108
Monoisotopic Mass 694.347
InChI InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37+,38-/m1/s1
InChIKey KOWWOODYPWDWOJ-LVBPXUMQSA-N
SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC)[C@]2([H])[C@]4(CC[C@H](OC)[C@@]32C1N(CC)C4)COC(=O)c1ccccc1N1C(=O)CC(C)C1=O
Metabolite of Species Details
Delphinium shawurense (IPNI:711003-1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing elatine (CHEBI:4768) has parent hydride aconitane (CHEBI:35911)
elatine (CHEBI:4768) is a benzoate ester (CHEBI:36054)
elatine (CHEBI:4768) is a dicarboximide (CHEBI:35356)
elatine (CHEBI:4768) is a diterpene alkaloid (CHEBI:23847)
elatine (CHEBI:4768) is a pyrrolidinone (CHEBI:38275)
IUPAC Name
20-ethyl-1α,6β,14α,16β-tetramethoxy-7,8-[methylenebis(oxy)]aconitan-4-yl 2-(4-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Synonyms Sources
20-Ethyl-1,6,14,16-tetramethoxy-7,8-(methylenebis(oxy))aconitane-4-methanol l2-((3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate (ester), (1alpha,6beta,14alpha,16beta)- ChemIDplus
Aconitane-4-methanol, 20-ethyl-7,8-(methylenebis(oxy))-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate(ester), (1-alpha,6-beta,14-alpha,16-beta)- KEGG COMPOUND
Elatin ChemIDplus
Elatine KEGG COMPOUND
Manual Xrefs Databases
C00001637 KNApSAcK
C08681 KEGG COMPOUND
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Registry Numbers Types Sources
26000-16-8 CAS Registry Number ChemIDplus
76560 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20351801 PubMed citation Europe PMC
Last Modified
12 February 2015