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CHEBI:70287 - Torrubiellone B, (cis)-

Default Structure
ChEBI IDCHEBI:70287
ChEBI NameTorrubiellone B, (cis)-
Stars
DefinitionA natural product found in Torrubiella species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H29NO6
Net Charge0
Average Mass403.475
Monoisotopic Mass403.19949
SMILESCCC(/C=C/C=C/C=C/C(=O)c1c(O)c([C@]2(O)CC[C@@H](O)CC2)cnc1=O)CO
InChIInChI=1S/C22H29NO6/c1-2-15(14-24)7-5-3-4-6-8-18(26)19-20(27)17(13-23-21(19)28)22(29)11-9-16(25)10-12-22/h3-8,13,15-16,24-25,29H,2,9-12,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+/t15?,16-,22+
InChIKeyKQURUXJOTYKSMO-ZSBVLOQZSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) mycelium (BTO:0001436) PubMed (21090800) EtOAc extract of culture broth and MeOH extract of mycelia,fungus isolated from 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 B, (cis)- (CHEBI:70287) has role metabolite (CHEBI:25212)
Torrubiellone B, (cis)- (CHEBI:70287) is a aromatic ketone (CHEBI:76224)
Synonym  Source
cis- 5-(1,4-dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-1H-pyridin-2-oneChEBI
Citations