EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70382 - 3-acetyltrichorabdal C

ChEBI IDCHEBI:70382
ChEBI Name3-acetyltrichorabdal C
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H30O8
Net Charge0
Average Mass446.496
Monoisotopic Mass446.19407
SMILES[H][C@@]12CC[C@]3([H])[C@](C1)(C(=O)OC(C(C)=O)[C@]31CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]1C=O)C(=O)C2=C
InChIInChI=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
InChIKeyCMMQSPXUURNCEY-NIXAFCJBSA-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)
3-acetyltrichorabdal C (CHEBI:70382) has role metabolite (CHEBI:25212)
3-acetyltrichorabdal C (CHEBI:70382) is a δ-lactone (CHEBI:18946)
Citations