CHEBI:70288 - Torrubiellone C

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ChEBI Name Torrubiellone C
ChEBI ID CHEBI:70288
Definition A natural product found in Torrubiella species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H23NO5
Net Charge 0
Average Mass 381.42170
Monoisotopic Mass 381.15762
InChI InChI=1S/C22H23NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(13-23-22(20)28)16-9-11-17(25)12-10-16/h3-13,15,24-25H,2,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+
InChIKey BKSPTJGGAGGDSV-OKWWDJPNSA-N
SMILES CCC(CO)\C=C\C=C\C=C\C(=O)c1c(O)c(c[nH]c1=O)-c1ccc(O)cc1
Metabolite of Species Details
Torrubiella (NCBI:txid153665) Ethyl acetate extract of culture broth, Torrubiella sp.isolated from a spider(araneae) of strain BCC 2165 See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Torrubiellone C (CHEBI:70288) has role metabolite (CHEBI:25212)
Torrubiellone C (CHEBI:70288) is a phenylpyridine (CHEBI:38193)
Synonym Source
4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one ChEBI
Citation Waiting for Citations Type Source
21090800 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:aromatic ketone(CHEBI:76224); ISA:phenols(CHEBI:33853); ISA:dihydropyridine(CHEBI:50075); ISA:pyridone(CHEBI:38183); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:enamine(CHEBI:47989); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:lactam(CHEBI:24995); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854);