CHEBI:206527 - 1-Hydroxyyanuthone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Hydroxyyanuthone A
ChEBI ID CHEBI:206527
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.530
Monoisotopic Mass 418.23554
InChI InChI=1S/C24H34O6/c1-16(8-6-10-18(3)14-25)7-5-9-17(2)11-12-24-21(27)13-20(15-29-19(4)26)22(28)23(24)30-24/h7,10-11,13,22-23,25,28H,5-6,8-9,12,14-15H2,1-4H3/b16-7+,17-11+,18-10+/t22-,23-,24?/m1/s1
InChIKey GZWIBJOEECGLTA-GDKWXELFSA-N
SMILES O=C1C=C([C@@H](O)[C@@H]2C1(O2)C/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C)COC(=O)C
Metabolite of Species Details
Aspergillus niger (NCBI:txid5061) See: PubMed
ChEBI Ontology
Outgoing 1-Hydroxyyanuthone A (CHEBI:206527) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1R,2R)-2-hydroxy-6-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
Manual Xref Database
78440224 ChemSpider
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