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CHEBI:70286 - Torrubiellone A, (cis)-

ChEBI IDCHEBI:70286
ChEBI NameTorrubiellone A, (cis)-
Stars
DefinitionA natural product found in Torrubiella species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H29NO7
Net Charge0
Average Mass419.474
Monoisotopic Mass419.19440
SMILESCCC(/C=C/C=C/C=C/C(=O)c1c(O)c([C@]2(O)CC[C@@H](O)CC2)cn(O)c1=O)CO
InChIInChI=1S/C22H29NO7/c1-2-15(14-24)7-5-3-4-6-8-18(26)19-20(27)17(13-23(30)21(19)28)22(29)11-9-16(25)10-12-22/h3-8,13,15-16,24-25,27,29-30H,2,9-12,14H2,1H3/b4-3+,7-5+,8-6+/t15?,16-,22+
InChIKeyWXLPIUFTKBWEGE-ZSBVLOQZSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) - PubMed (21090800) Ethyl acetate extract of culture broth, Torrubiella sp.isolated from a spider(araneae) Strain: BCC 2165
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Torrubiellone A, (cis)- (CHEBI:70286) has role metabolite (CHEBI:25212)
Torrubiellone A, (cis)- (CHEBI:70286) is a aromatic ketone (CHEBI:76224)
Synonym  Source
cis-5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]pyridin-2-oneChEBI
Citations