EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70386 - Ludongnin G

ChEBI IDCHEBI:70386
ChEBI NameLudongnin G
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12CC[C@]3([H])[C@](C1)(C(=O)OC[C@]31CCC[C@@]3(C)CO[C@@H](OC)[C@]31[H])C(=O)[C@H]2C
InChIInChI=1S/C21H30O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h12-15,17H,4-11H2,1-3H3/t12-,13+,14-,15+,17+,19-,20+,21-/m0/s1
InChIKeyYPVJSAYFTDREBJ-KAQOAFHOSA-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)
Ludongnin G (CHEBI:70386) has role metabolite (CHEBI:25212)
Ludongnin G (CHEBI:70386) is a δ-lactone (CHEBI:18946)
Synonym  Source
(1'S,3R,3aR,4R,6'S,7aR,9'R,10'S)-3-Methoxy-7a,10'-dimethylhexahydro-1H,11'H-spiro[2-benzofuran-4,5'-[3]oxatricyclo[7.2.1.0(1,6)]dodecane]-2',11'-dioneChEBI
Citations