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CHEBI:70383 - coetsin B

ChEBI IDCHEBI:70383
ChEBI Namecoetsin B
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H30O9
Net Charge0
Average Mass462.495
Monoisotopic Mass462.18898
SMILES[H][C@@]12C[C@@H](O)[C@]3([H])[C@](C1)(C(=O)OC[C@]31CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]1C=O)C(=O)C2=C
InChIInChI=1S/C24H30O9/c1-12-15-7-16(28)19-23(11-32-21(30)24(19,8-15)20(12)29)6-5-18(33-14(3)27)22(4,17(23)9-25)10-31-13(2)26/h9,15-19,28H,1,5-8,10-11H2,2-4H3/t15-,16-,17-,18+,19+,22+,23+,24+/m1/s1
InChIKeyBAQMGVVHZMKNPB-AULQEXAJSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered aerial parts
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)
coetsin B (CHEBI:70383) has role metabolite (CHEBI:25212)
coetsin B (CHEBI:70383) is a δ-lactone (CHEBI:18946)
Citations