CHEBI:70286 - Torrubiellone A, (cis)-

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ChEBI Name Torrubiellone A, (cis)-
ChEBI ID CHEBI:70286
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 C22H29NO7
Net Charge 0
Average Mass 419.46820
Monoisotopic Mass 419.19440
InChI InChI=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+
InChIKey WXLPIUFTKBWEGE-ZSBVLOQZSA-N
SMILES CCC(CO)\C=C\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)[C@@]1(O)CC[C@H](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 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-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:dihydropyridine(CHEBI:50075); ISA:cyclohexanols(CHEBI:23480); ISA:pyridone(CHEBI:38183); ISA:tertiary alcohol(CHEBI:26878); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:enol ether(CHEBI:47985); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:lactam(CHEBI:24995); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854);