CHEBI:69491 - Smardaesidin E, (rel)-

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ChEBI Name Smardaesidin E, (rel)-
ChEBI ID CHEBI:69491
Definition A natural product found in Smardaea species.
Stars This entity has been manually annotated by a third party.
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Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.43330
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/c1-5-18(4)9-11-13(22)14-15-17(2,3)7-6-8-19(15,16(23)25-14)20(11,24)10-12(18)21/h5,9,12-15,21-22,24H,1,6-8,10H2,2-4H3/t12-,13-,14+,15-,18+,19-,20+/m0/s1
InChIKey GMBCLCQVLOXAGM-JFNPQPDZSA-N
SMILES [H][C@@]12[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)C[C@H](O)[C@](C)(C=C)C=C1[C@@H]3O
Metabolite of Species Details
Smardaea (NCBI:txid173111) Ethyl acetate extract,Endophytic fungus in the living photosynthetic tissue of 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 E, (rel)- (CHEBI:69491) has role metabolite (CHEBI:25212)
Smardaesidin E, (rel)- (CHEBI:69491) is a γ-lactone (CHEBI:37581)
Synonym Source
rel-7alpha,9alpha,12alpha-trihydroxy-6beta,20-epoxyisopimara-8(14),15-dien-20-one ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxacycle(CHEBI:38104); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);