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CHEBI:145071 - dihydrostemphyloxin I

ChEBI IDCHEBI:145071
ChEBI Namedihydrostemphyloxin I
Stars
DefinitionAn octahydronaphthalene that is stemphyloxin I in which the C=C bond of the enol moiety has been reduced to a C‒C bond.
Last Modified16 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H36O6
Net Charge0
Average Mass384.513
Monoisotopic Mass384.25119
SMILES[H][C@]12[C@H](C)C[C@@](C)(O)C[C@]1([H])C(=O)[C@@](C)(O)[C@H]([C@@H](CC)CO)[C@]2(C)C(=O)CCO
InChIInChI=1S/C21H36O6/c1-6-13(11-23)17-20(4,15(24)7-8-22)16-12(2)9-19(3,26)10-14(16)18(25)21(17,5)27/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3/t12-,13+,14+,16+,17-,19-,20-,21+/m1/s1
InChIKeyUUOFDWJUPVQCFZ-BSXWIJKXSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
dihydrostemphyloxin I (CHEBI:145071) has functional parent stemphyloxin I (CHEBI:145070)
dihydrostemphyloxin I (CHEBI:145071) has role fungal metabolite (CHEBI:76946)
dihydrostemphyloxin I (CHEBI:145071) is a cyclic ketone (CHEBI:3992)
dihydrostemphyloxin I (CHEBI:145071) is a diketone (CHEBI:46640)
dihydrostemphyloxin I (CHEBI:145071) is a octahydronaphthalenes (CHEBI:138397)
dihydrostemphyloxin I (CHEBI:145071) is a primary alcohol (CHEBI:15734)
dihydrostemphyloxin I (CHEBI:145071) is a tertiary alcohol (CHEBI:26878)
dihydrostemphyloxin I (CHEBI:145071) is a tetrol (CHEBI:33573)
dihydrostemphyloxin I (CHEBI:145071) is a α-hydroxy ketone (CHEBI:139588)
dihydrostemphyloxin I (CHEBI:145071) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one
Citations