CHEBI:133839 - yanuthone G

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name yanuthone G
ChEBI ID CHEBI:133839
Definition A class I yanuthone that is yanuthone F in which the hydroxy group attached to the epoxycyclohexenone ring has been converted into the corresponding β-D-glucoside.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
Download Molfile XML SDF
Formula C28H42O9
Net Charge 0
Average Mass 522.629
Monoisotopic Mass 522.28288
InChI InChI=1S/C28H42O9/c1-16(8-6-10-18(3)14-29)7-5-9-17(2)11-12-28-21(31)13-19(4)25(26(28)37-28)36-27-24(34)23(33)22(32)20(15-30)35-27/h7,10-11,13,20,22-27,29-30,32-34H,5-6,8-9,12,14-15H2,1-4H3/b16-7+,17-11+,18-10+/t20-,22-,23+,24-,25-,26-,27+,28+/m1/s1
InChIKey CBEGKNQNKAZQEF-CERRFSKRSA-N
SMILES C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)=O)/CC/C=C(\C)/CO
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing yanuthone G (CHEBI:133839) has functional parent yanuthone F (CHEBI:133835)
yanuthone G (CHEBI:133839) has role Aspergillus metabolite (CHEBI:76956)
yanuthone G (CHEBI:133839) is a β-D-glucoside (CHEBI:22798)
yanuthone G (CHEBI:133839) is a class I yanuthone (CHEBI:133075)
IUPAC Name
(1R,2R,6R)-6-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl β-D-glucopyranoside
Registry Number Type Source
27020141 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24684908 PubMed citation Europe PMC
25293978 PubMed citation Europe PMC
Last Modified
28 April 2020