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CHEBI:70121 - deoxyflindissone

ChEBI IDCHEBI:70121
ChEBI Namedeoxyflindissone
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S,23R)-21,23-epoxylanosta-7,24-diene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri.
Last Modified2 October 2014
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILES[H][C@]1([C@]2([H])CC[C@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]23C)CO[C@@]([H])(C=C(C)C)C1
InChIInChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21+,22+,23+,25+,28-,29+,30-/m1/s1
InChIKeyWAGHSYJXJAHWPX-LLUYJYKPSA-N
Species of MetaboliteComponentSourceComments
Cornus walteri (ncbitaxon:16907)
stem (BTO:0001300) PubMed (21182258) Previous component: stem bark; 80% Methanolic extract of dried, chopped stems and stem bark
stem (BTO:0001300) PubMed (21182258) 80% Methanolic extract of dried, chopped stems and stem bark
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
deoxyflindissone (CHEBI:70121) has role plant metabolite (CHEBI:76924)
deoxyflindissone (CHEBI:70121) is a cyclic terpene ketone (CHEBI:36130)
deoxyflindissone (CHEBI:70121) is a oxolanes (CHEBI:26912)
deoxyflindissone (CHEBI:70121) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20S,23R)-21,23-epoxylanosta-7,24-dien-3-one
Synonym  Source
21,23-epoxytirucalla-7,24-diene-3-oneChEBI
Registry NumbersSources
Reaxys:6745652Reaxys
Citations