CHEBI:70379 - Nodosin

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ChEBI Name Nodosin
ChEBI ID CHEBI:70379
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 C20H26O6
Net Charge 0
Average Mass 362.41680
Monoisotopic Mass 362.17294
InChI InChI=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
InChIKey WZYJEEIAFBHYJS-SONIPUFESA-N
SMILES [H][C@]12CCC(C)(C)[C@@]3([H])[C@H](O)OC[C@@]13[C@]1([H])[C@H](O)C[C@@H]3C[C@@]1(C(=O)O2)C(=O)C3=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 Nodosin (CHEBI:70379) has role metabolite (CHEBI:25212)
Nodosin (CHEBI:70379) 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:oxanes(CHEBI:46942); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ketone(CHEBI:17087); ISA:hemiacetal(CHEBI:5653); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384);