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CHEBI:210545 - Libertellenone B

ChEBI IDCHEBI:210545
ChEBI NameLibertellenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(CO)CC=C[C@]3(C)[C@@]2(O)CC1
InChIInChI=1S/C20H26O4/c1-5-17(2)9-10-20(24)13(11-17)14(22)15(23)16-18(3,12-21)7-6-8-19(16,20)4/h5-6,8,11,21,23-24H,1,7,9-10,12H2,2-4H3/t17-,18-,19-,20+/m0/s1
InChIKeyLFRSXNQOAUFLLU-LWYYNNOASA-N
Species of MetaboliteComponentSourceComments
Libertellaspecies (ncbitaxon:2040850) - PubMed (15993608)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Libertellenone B (CHEBI:210545) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1R,4aS,4bS,7R)-7-ethenyl-4b,10-dihydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-5,6-dihydro-2H-phenanthren-9-one
Manual XrefsDatabases
10480843ChemSpider