CHEBI:145071 - dihydrostemphyloxin I

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ChEBI Name dihydrostemphyloxin I
ChEBI ID CHEBI:145071
Definition An octahydronaphthalene that is stemphyloxin I in which the C=C bond of the enol moiety has been reduced to a C‒C bond.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C21H36O6
Net Charge 0
Average Mass 384.513
Monoisotopic Mass 384.25119
InChI InChI=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
InChIKey UUOFDWJUPVQCFZ-BSXWIJKXSA-N
SMILES [C@]1([C@H]([C@](C([C@@]2([C@@]1([C@@H](C[C@](C2)(O)C)C)[H])[H])=O)(C)O)[C@@H](CC)CO)(C(=O)CCO)C
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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ChEBI Ontology
Outgoing 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 α-hydroxy ketone (CHEBI:139588)
dihydrostemphyloxin I (CHEBI:145071) is a β-hydroxy ketone (CHEBI:55380)
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)
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
Citation Waiting for Citations Type Source
31553484 PubMed citation SUBMITTER
Last Modified
16 October 2019