CHEBI:70382 - 3-acetyltrichorabdal C

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ChEBI Name 3-acetyltrichorabdal C
ChEBI ID CHEBI:70382
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H30O8
Net Charge 0
Average Mass 446.49020
Monoisotopic Mass 446.19407
InChI InChI=1S/C24H30O8/c1-12-15-5-6-16-23(20(13(2)26)32-21(30)24(16,9-15)19(12)29)8-7-18(28)22(4,17(23)10-25)11-31-14(3)27/h10,15-18,20,28H,1,5-9,11H2,2-4H3/t15-,16+,17-,18+,20?,22+,23-,24+/m1/s1
InChIKey CMMQSPXUURNCEY-NIXAFCJBSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@@]4(CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]4C=O)C(OC(=O)[C@]3(C1)C(=O)C2=C)C(C)=O
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 3-acetyltrichorabdal C (CHEBI:70382) has role metabolite (CHEBI:25212)
3-acetyltrichorabdal C (CHEBI:70382) 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:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:oxanes(CHEBI:46942); ISA:dicarboxylic acid(CHEBI:35692); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);