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CHEBI:68998 - dysolenticin B

ChEBI IDCHEBI:68998
ChEBI Namedysolenticin B
Stars
DefinitionA tirucallane triterpenoid isolated from Dysoxylum lenticellatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H42O3
Net Charge0
Average Mass450.663
Monoisotopic Mass450.31340
SMILES[H][C@@]1(C=C(C)C)C=C([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)C(=O)O1
InChIInChI=1S/C30H42O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-17,19,21-22,24H,9-15H2,1-7H3/t19-,21+,22+,24+,28-,29+,30-/m1/s1
InChIKeyRPPAVMFODBKIDO-HALKBXBMSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
twig (BTO:0001411) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs
leaf (BTO:0000713) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs
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)
dysolenticin B (CHEBI:68998) has role plant metabolite (CHEBI:76924)
dysolenticin B (CHEBI:68998) is a butenolide (CHEBI:50523)
dysolenticin B (CHEBI:68998) is a cyclic terpene ketone (CHEBI:36130)
dysolenticin B (CHEBI:68998) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
rel-(13α,14β,17α,23R)-21,23-epoxylanosta-7,20(22),24-triene-3,21-dione
Registry NumbersSources
Reaxys:22011332Reaxys
Citations