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CHEBI:64688 - artemisinic aldehyde

ChEBI IDCHEBI:64688
ChEBI Nameartemisinic aldehyde
Stars
DefinitionA sesquiterpenoid aldehyde, an intermedediate in the biosynthesis of artemisinin from artemisinic alcohol in Artemisia annua.
Last Modified7 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILES[H][C@@]12CCC(C)=C[C@]1([H])[C@H](C(=C)C=O)CC[C@H]2C
InChIInChI=1S/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15+/m1/s1
InChIKeySVAPNGMAOHQQFJ-UNQGMJICSA-N
ChEBI Ontology
Outgoing Relation(s)
artemisinic aldehyde (CHEBI:64688) is a aldehyde (CHEBI:17478)
artemisinic aldehyde (CHEBI:64688) is a carbobicyclic compound (CHEBI:36785)
artemisinic aldehyde (CHEBI:64688) is a octahydronaphthalenes (CHEBI:138397)
artemisinic aldehyde (CHEBI:64688) is a sesquiterpenoid (CHEBI:26658)
Incoming Relation(s)
(11R)-dihydroartemisinic aldehyde (CHEBI:64691) has functional parent artemisinic aldehyde (CHEBI:64688)
IUPAC Name 
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enal
Synonyms  Source
artemisic aldehydeChEBI
amporph-4,11-diene-12-alChEBI
UniProt Name  Source
(+)-artemisinic aldehydeUniProt
Manual XrefsDatabases
CPD-7557MetaCyc
Registry NumbersSources
Reaxys:10007655Reaxys
Citations