CHEBI:70388 - Ludongnin I

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ChEBI Name Ludongnin I
ChEBI ID CHEBI:70388
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 C21H30O5
Net Charge 0
Average Mass 362.45990
Monoisotopic Mass 362.20932
InChI InChI=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+/m1/s1
InChIKey YPVJSAYFTDREBJ-CQVBDWECSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@@]4(CCC[C@@]5(C)CO[C@H](OC)[C@@]45[H])COC(=O)[C@]3(C1)C(=O)[C@@H]2C
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 Ludongnin I (CHEBI:70388) has role metabolite (CHEBI:25212)
Ludongnin I (CHEBI:70388) is a δ-lactone (CHEBI:18946)
Synonym Source
(1'S,3S,3aR,4R,6'S,7aR,9'R,10'R)-3-Methoxy-7a,10'-dimethylhexahydro-1H,11'H-spiro[2-benzofuran-4,5'-[3]oxatricyclo[7.2.1.0(1,6)]dodecane]-2',11'-dione ChEBI
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:carboxylic ester(CHEBI:33308); ISA:ketone(CHEBI:17087); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769);