EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69564 - lobophytumin F

ChEBI IDCHEBI:69564
ChEBI Namelobophytumin F
Stars
DefinitionA diterpenoid isolated from the Hainan soft coral Lobophytum cristatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@@]12CCC(=C)[C@]1([H])[C@]1([H])[C@@]2(C)CC[C@]1([H])C(C)CC(=O)CC(C)C
InChIInChI=1S/C20H32O/c1-12(2)10-15(21)11-14(4)16-8-9-20(5)17-7-6-13(3)18(17)19(16)20/h12,14,16-19H,3,6-11H2,1-2,4-5H3/t14?,16-,17-,18+,19-,20+/m1/s1
InChIKeyMJVREFNGXLSWKW-CIQMHLMDSA-N
Species of MetaboliteComponentSourceComments
Lobophytum cristatum (WORMS:288778) - PubMed (21954851) small frozen pieces of sample were extracted with acetone.
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
lobophytumin F (CHEBI:69564) has role coral metabolite (CHEBI:76498)
lobophytumin F (CHEBI:69564) is a carbotricyclic compound (CHEBI:38032)
lobophytumin F (CHEBI:69564) is a diterpenoid (CHEBI:23849)
lobophytumin F (CHEBI:69564) is a ketone (CHEBI:17087)
IUPAC Name 
2-methyl-6-[(1R,3aS,3bR,6aS,6bR)-3a-methyl-6-methylidenedecahydrocyclobuta[1,2-a:3,4-a']dicyclopenten-1-yl]heptan-4-one
Registry NumbersSources
Reaxys:21975510Reaxys
Citations