CHEBI:168754 - Dihydroartemisinin (DHA)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dihydroartemisinin (DHA)
ChEBI ID CHEBI:168754
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O5
Net Charge 0
Average Mass 284.352
Monoisotopic Mass 284.16237
InChI InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1
InChIKey BJDCWCLMFKKGEE-KDTBHNEXSA-N
SMILES O1O[C@]2(O[C@]3(O[C@@H](O)[C@@H]([C@]4([C@@]13[C@]([C@@H](CC4)C)(CC2)[H])[H])C)[H])C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): oxidising agent
A substance that removes electrons from another reactant in a redox reaction.
(via peroxides )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dihydroartemisinin (DHA) (CHEBI:168754) is a artemisinin derivative (CHEBI:63920)
IUPAC Name
(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
Manual Xref Database
9533004 ChemSpider
View more database links
Registry Number Type Source
81496-81-3 CAS Registry Number ChemIDplus