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CHEBI:70027 - Dinoxin B

Default Structure
ChEBI IDCHEBI:70027
ChEBI NameDinoxin B
Stars
DefinitionA natural product found in Datura inoxia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H48O11
Net Charge0
Average Mass632.747
Monoisotopic Mass632.31966
SMILES[H][C@@]12CC=C3CC=CC(=O)[C@]3(C)[C@@]1([H])C[C@@H](O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](CO)[C@@]1([H])CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
InChIInChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1
InChIKeyLZMUHRZRHBVVTP-MHEOYVQJSA-N
Species of MetaboliteComponentSourceComments
Datura inoxia (ncbitaxon:4075)
flower (BTO:0000469) PubMed (21280589) Methanolic extract of dried, pulverized leaves
leaf (BTO:0000713) PubMed (21280589) Methanolic extract of dried, pulverized 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)
Dinoxin B (CHEBI:70027) has role metabolite (CHEBI:25212)
Dinoxin B (CHEBI:70027) is a withanolide (CHEBI:74716)
Synonyms  Source
12,21-dihydroxy-1-oxowitha-2,5,24-trienolide-27-O-beta-D-glucopyranosideChEBI
Ergosta-2,5,24-trien-26-oic acid, 27-(beta-Dglucopyranosyloxy)-12,21,22-trihydroxy-1-oxo, delta-lactoneChEBI
Citations