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CHEBI:214379 - 1-Hydroxyyanuthone C

ChEBI IDCHEBI:214379
ChEBI Name1-Hydroxyyanuthone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESCC(=O)O[C@@H]1C(CO)=CC(=O)C2(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O[C@H]12
InChIInChI=1S/C24H34O6/c1-16(8-6-10-18(3)14-25)7-5-9-17(2)11-12-24-21(28)13-20(15-26)22(23(24)30-24)29-19(4)27/h7,10-11,13,22-23,25-26H,5-6,8-9,12,14-15H2,1-4H3/b16-7+,17-11+,18-10+/t22-,23-,24?/m1/s1
InChIKeyAUXUIWMAFZEZRF-GDKWXELFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (11031048)
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxyyanuthone C (CHEBI:214379) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2R)-3-(hydroxymethyl)-6-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
Manual XrefsDatabases
78440491ChemSpider