CHEBI:209876 - Libertellenone P

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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 P
ChEBI ID CHEBI:209876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32O7
Net Charge 0
Average Mass 444.524
Monoisotopic Mass 444.21480
InChI InChI=1S/C25H32O7/c1-6-18(27)31-13-23(5)17(32-14(3)26)10-15-11-24(15)21(23)20(29)19(28)16-12-22(4,7-2)8-9-25(16,24)30/h7,12,15,17,29-30H,2,6,8-11,13H2,1,3-5H3/t15-,17+,22-,23+,24-,25+/m0/s1
InChIKey XQLOOBQPQYOLAI-CGCPNZNOSA-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)CC)C
Metabolite of Species Details
Eutypellaspecies D-1 (NCBI:txid1689458) See: PubMed
ChEBI Ontology
Outgoing Libertellenone P (CHEBI:209876) 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 propanoate
Manual Xref Database
78441689 ChemSpider
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