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CHEBI:70000 - combretanone F

ChEBI IDCHEBI:70000
ChEBI Namecombretanone F
Stars
DefinitionA pentacyclic triterpenoid that is 9β,19-cyclolanost-25-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 23. It has been isolated from the leaves of Combretum quadrangulare.
Last Modified28 March 2017
DownloadsMolfile
FormulaC31H50O3
Net Charge0
Average Mass470.738
Monoisotopic Mass470.37600
SMILES[H][C@@]12[C@@H](O)C[C@@]3([H])C(C)(C)C(=O)CC[C@@]34C[C@]41CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC(O)C(C)C(=C)C
InChIInChI=1S/C31H50O3/c1-18(2)20(4)22(32)15-19(3)21-9-11-29(8)26-23(33)16-24-27(5,6)25(34)10-12-30(24)17-31(26,30)14-13-28(21,29)7/h19-24,26,32-33H,1,9-17H2,2-8H3/t19-,20?,21-,22?,23+,24+,26+,28-,29+,30-,31+/m1/s1
InChIKeyQUPJGITVAPYCDP-XFMQLQBYSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
combretanone F (CHEBI:70000) has parent hydride cycloartane (CHEBI:37778)
combretanone F (CHEBI:70000) has role metabolite (CHEBI:25212)
combretanone F (CHEBI:70000) has role plant metabolite (CHEBI:76924)
combretanone F (CHEBI:70000) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone F (CHEBI:70000) is a cyclic terpene ketone (CHEBI:36130)
combretanone F (CHEBI:70000) is a diol (CHEBI:23824)
combretanone F (CHEBI:70000) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
7β,23-dihydroxy-24-methyl-9β,19-cyclolanost-25-en-3-one
Registry NumbersSources
Reaxys:21312859Reaxys
Citations