CHEBI:195289 - xyloketal C

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ChEBI Name xyloketal C
ChEBI ID CHEBI:195289
Definition A xyloketal with formula C20H26O5. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H26O5
Net Charge 0
Average Mass 346.423
Monoisotopic Mass 346.17802
InChI InChI=1S/C20H26O5/c1-10-8-22-19(3)14(10)5-12-16(24-19)7-17-13(18(12)21)6-15-11(2)9-23-20(15,4)25-17/h7,10-11,14-15,21H,5-6,8-9H2,1-4H3/t10-,11-,14+,15+,19+,20+/m0/s1
InChIKey WHHWCKOXIJBKTF-FCOFOHSNSA-N
SMILES [H][C@]12CC3=C(O)C4=C(O[C@@]5(C)OC[C@H](C)[C@@]5([H])C4)C=C3O[C@@]1(C)OC[C@@H]2C
Metabolite of Species Details
Xylaria sp. 2508 (NCBI:txid598750) See: PubMed
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.
(via xyloketal )
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via xyloketal )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing xyloketal C (CHEBI:195289) is a organic heteropentacyclic compound (CHEBI:38164)
xyloketal C (CHEBI:195289) is a organic hydroxy compound (CHEBI:33822)
xyloketal C (CHEBI:195289) is a xyloketal (CHEBI:195287)
IUPAC Name
(3R,3aR,6aR,7R,9aR,12aR)-3,7,9a,12a-tetramethyl-2,3,3a,6a,7,8,9a,12a-octahydro-4H,6H-furo[2,3-b]furo[3',2':5,6]pyrano[3,2-g]chromen-5-ol
Synonym Source
(3R,3aR,6aR,7R,9aR,12aR)-3,7,9a,12a-tetramethyl-2,3,3a,6a,7,8,9a,12a-octahydro-4H,6H-difuro[3,2-e:3,2-e']benzo[1,2-b:5,4-b']dipyran-5-ol IUPAC
Citations Waiting for Citations Types Sources
16468815 PubMed citation Europe PMC
28125001 PubMed citation Europe PMC
Last Modified
08 June 2023