Isocaespitol (BioCAD00000012539)

plant natural products microbial natural products

Metabolite Card

Formula: C15H25Br2ClO2 (429.991)
SMILES: CC1(C)O[C@@](C)([C@H](O)C[C@H]1Br)C1CC[C@@](C)(Br)[C@H](Cl)C1

Synonyms [en]

Isocaespitol; (2~{R},3~{R},5~{R})-5-bromo-2-[(1~{S},3~{R},4~{R})-4-bromo-3-chloro-4-methyl-cyclohexyl]-2,6,6-trimethyl-tetrahydropyran-3-ol; CHEMBL1088006; 53915-39-2; 4R)-4-bromo-3-chloro-4-methylcyclohexyl-2; CHEBI:80938

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Isocaespitol. 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: BioCAD00000012539). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Entity Information

DBLinks

  • CAS Registry Number: 53915-39-2
  • PubChem CID:
  • ChEBI: 80938
  • HMDB:
  • LipidMaps:
  • KEGG: C17112
  • BioCyc:
  • NCBI MeSH:
  • Wikipedia:
Other DBLinks
  • CAS Registry Number: 53915-39-2
  • ChEBI: ChEBI:80938
  • KEGG: C17112
  • Metlin: METLIN_71571
  • Coconut NaturalProduct: CNP0151640.1
  • Coconut NaturalProduct: CNP0151640.2

Class / Ontology

Metabolic Network
ID EC Number Name
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