CHEBI:70383 - coetsin B

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ChEBI Name coetsin B
ChEBI ID CHEBI:70383
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H30O9
Net Charge 0
Average Mass 462.48960
Monoisotopic Mass 462.18898
InChI InChI=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
InChIKey BAQMGVVHZMKNPB-AULQEXAJSA-N
SMILES [H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]4C=O)COC(=O)[C@]3(C1)C(=O)C2=C
Metabolite of Species Details
Isodon eriocalyx (IPNI:448573-1) Found in aerial part (BTO:0001658). 70% aqueous Me2CO extract of air-dried and powdered aerial parts 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 coetsin B (CHEBI:70383) has role metabolite (CHEBI:25212)
coetsin B (CHEBI:70383) is a δ-lactone (CHEBI:18946)
Citation Waiting for Citations Type Source
20949916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);