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CHEBI:70379 - Nodosin

ChEBI IDCHEBI:70379
ChEBI NameNodosin
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12[C@H](O)C[C@@H]3C[C@@]1(C(=O)O[C@@]1([H])CCC(C)(C)[C@@]4([H])[C@H](O)OC[C@@]214)C(=O)C3=C
InChIInChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,16-,19+,20+/m1/s1
InChIKeyWZYJEEIAFBHYJS-SONIPUFESA-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)
Nodosin (CHEBI:70379) has role metabolite (CHEBI:25212)
Nodosin (CHEBI:70379) is a δ-lactone (CHEBI:18946)
Citations