Aconine (BioCAD00000005823)

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Metabolite Card

Formula: C25H41NO9 (499.2781)
SMILES: [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)[C@@H]5O)(O)[C@@H]6O)[H])[H])O)[H])CC)(COC)[C@H](O)C[C@@H]3OC)[H]

Synonyms [en]

aconine; Jesaconine; 1ST157891; (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol; 5-21-06-00310 (Beilstein Handbook Reference); UNII-GNS9EEX31X

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Aconine. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000005823). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

A diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species." []

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 104494-22-6
  • CAS Registry Number: 509-20-6
  • PubChem: 102004920
  • PubChem: 11969787
  • PubChem: 146159044
  • PubChem: 156588497
  • PubChem: 156621075
  • PubChem: 16401653
  • PubChem: 166639892
  • PubChem: 168013284
  • PubChem: 169432757
  • PubChem: 20054813
  • PubChem: 417761
  • PubChem: 44656223
  • PubChem: 78358489
  • ChEBI: ChEBI:132639
  • HMDB: HMDB0247960
  • KEGG: C19990
  • NCBI MeSH: aconine
  • MoNA: Alkaloids000268
  • MoNA: CB000189
  • MoNA: NGA02169
  • MoNA: NGA02170
  • MoNA: NGA02171
  • MoNA: NGA02172
  • MoNA: TOF_alkaloids_neg000075
  • MoNA: TOF_alkaloids_pos000209
  • MoNA: TOF_alkaloids_pos000210
  • Metlin: METLIN_73475
  • Coconut NaturalProduct: CNP0372740.2
  • Coconut NaturalProduct: CNP0372740.4
  • Coconut NaturalProduct: CNP0372740.5
  • Coconut NaturalProduct: CNP0372740.6
  • Coconut NaturalProduct: CNP0372740.9
  • Coconut NaturalProduct: CNP0569484.1

Class / Ontology

Metabolic Network
ID EC Number Name
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