CHEBI:69487 - Smardaesidin A, (rel)-

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ChEBI Name Smardaesidin A, (rel)-
ChEBI ID CHEBI:69487
Definition A natural product found in Smardaea species.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086436
Download Molfile XML SDF
Formula C20H28O6
Net Charge 0
Average Mass 364.43270
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c1-16(2)5-4-6-18-13(16)11(22)14(23)20(26-15(18)24)12-10(9-21)17(12,3)7-8-19(18,20)25/h10,12-14,21,23,25H,4-9H2,1-3H3/t10-,12-,13-,14-,17+,18-,19-,20-/m0/s1
InChIKey GKARPIJLSMMCSR-ZSPSABHSSA-N
SMILES [H][C@]12[C@H](CO)[C@@]1(C)CC[C@@]1(O)[C@]22OC(=O)[C@@]11CCCC(C)(C)[C@]1([H])C(=O)[C@@H]2O
Metabolite of Species Details
Smardaea (NCBI:txid173111) 1.Inseparable mixture of Smardaesidin B and C2.Endophytic fungus living in Ceratodon purpureus of strain AZ0432 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 Smardaesidin A, (rel)- (CHEBI:69487) has role metabolite (CHEBI:25212)
Smardaesidin A, (rel)- (CHEBI:69487) is a γ-lactone (CHEBI:37581)
Synonym Source
rel-7beta,9alpha,16-trihydroxy-8beta,20-epoxy-14alpha,15beta-cycloisopimara-6,20-dione ChEBI
Citation Type Source
21999655 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxacycle(CHEBI:38104); ISA:cyclohexanones(CHEBI:23482); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734);