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CHEBI:69362 - Tritoniopsin D

Default Structure
ChEBI IDCHEBI:69362
ChEBI NameTritoniopsin D
Stars
DefinitionA natural product found in Tritoniopsis elegans and Cladiella krempfi.
Last Modified26 August 2015
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
SMILES[H][C@]12O[C@]([H])(CC(=C)[C@@H](OC(C)=O)CC[C@@]1(C)OC(=O)CCC)[C@@]1([H])[C@@](C)(O)[C@@]3([H])C[C@]([H])([C@@H](C)CO3)[C@@]21[H]
InChIInChI=1S/C26H40O7/c1-7-8-21(28)33-25(5)10-9-18(31-16(4)27)14(2)11-19-23-22(24(25)32-19)17-12-20(26(23,6)29)30-13-15(17)3/h15,17-20,22-24,29H,2,7-13H2,1,3-6H3/t15-,17+,18-,19+,20+,22+,23+,24+,25+,26-/m0/s1
InChIKeyCAXUZJKWMCTHMI-UDQIIJQESA-N
Species of MetaboliteComponentSourceComments
Cladiella krempfi (WORMS:209611) - PubMed (21861494) Acetone extract of Frozen specimens
Tritoniopsis elegans (ncbitaxon:152756)
gland (BTO:0000522) PubMed (21861494) Acetone extract of mantle and glands and Tritoniopsis elegans found grazing on Cladiella krempfi
mantle (BTO:0000825) PubMed (21861494) Acetone extract of mantle and glands and Tritoniopsis elegans found grazing on Cladiella krempfi
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)
Tritoniopsin D (CHEBI:69362) has role metabolite (CHEBI:25212)
Tritoniopsin D (CHEBI:69362) is a butyrate ester (CHEBI:50477)
Tritoniopsin D (CHEBI:69362) is a oxanes (CHEBI:46942)
Synonym  Source
(1R,2R,3R,4R,7R,8R,9S,10R,13S,16R)-13-Acetoxy-8-hydroxy-4,8,16-trimethyl-12-methylene-6,17-dioxatetracyclo[8.6.1.1(3,7).0(2,9)]octadec-16-yl butyrateChEBI
Citations