CHEBI:209509 - Libertellenone H

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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 Libertellenone H
ChEBI ID CHEBI:209509
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O7
Net Charge 0
Average Mass 458.551
Monoisotopic Mass 458.23045
InChI InChI=1S/C26H34O7/c1-7-23(5)8-9-26(31)17(12-23)19(28)20(29)21-24(6,13-32-22(30)14(2)3)18(33-15(4)27)10-16-11-25(16,21)26/h7,12,14,16,18,29,31H,1,8-11,13H2,2-6H3/t16-,18+,23-,24+,25-,26+/m0/s1
InChIKey JIDXGOZTLODFJW-FEWBMDKSSA-N
SMILES O=C1C(O)=C2[C@@]([C@H](OC(=O)C)C[C@@H]3[C@]2(C3)[C@@]4(C1=C[C@@](C=C)(CC4)C)O)(COC(=O)C(C)C)C
Metabolite of Species Details
Eutypellaspecies D-1 (NCBI:txid1689458) See: PubMed
ChEBI Ontology
Outgoing Libertellenone H (CHEBI:209509) is a cyclohexenones (CHEBI:48953)
IUPAC Name
[(1S,2S,5R,11R,12R,14R)-12-acetyloxy-5-ethenyl-2,9-dihydroxy-5,11-dimethyl-8-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-dienyl]methyl 2-methylpropanoate
Manual Xref Database
78437936 ChemSpider
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