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CHEBI:133839 - yanuthone G

ChEBI IDCHEBI:133839
ChEBI Nameyanuthone G
Stars
DefinitionA 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.
Last Modified28 April 2020
SubmitterJubra
DownloadsMolfile
FormulaC28H42O9
Net Charge0
Average Mass522.635
Monoisotopic Mass522.28288
SMILESCC1=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O[C@@H]2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyCBEGKNQNKAZQEF-CERRFSKRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (24684908)
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 class I yanuthone (CHEBI:133075)
yanuthone G (CHEBI:133839) is a β-D-glucoside (CHEBI:22798)
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 NumbersSources
Reaxys:27020141Reaxys
Citations