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CHEBI:69563 - lobophytumin E

ChEBI IDCHEBI:69563
ChEBI Namelobophytumin E
Stars
DefinitionA diterpenoid isolated from the Hainan soft coral Lobophytum cristatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@@]12CCC(=C)[C@]1([H])[C@]1([H])[C@@]2(C)CC[C@]1([H])C(C)CC(=O)C=C(C)C
InChIInChI=1S/C20H30O/c1-12(2)10-15(21)11-14(4)16-8-9-20(5)17-7-6-13(3)18(17)19(16)20/h10,14,16-19H,3,6-9,11H2,1-2,4-5H3/t14?,16-,17-,18+,19-,20+/m1/s1
InChIKeyQCUYCSJANBKKLA-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 E (CHEBI:69563) has role coral metabolite (CHEBI:76498)
lobophytumin E (CHEBI:69563) is a carbotricyclic compound (CHEBI:38032)
lobophytumin E (CHEBI:69563) is a diterpenoid (CHEBI:23849)
lobophytumin E (CHEBI:69563) is a enone (CHEBI:51689)
IUPAC Name 
2-methyl-6-[(1R,3aS,3bR,6aS,6bR)-3a-methyl-6-methylidenedecahydrocyclobuta[1,2-a:3,4-a']dicyclopenten-1-yl]hept-2-en-4-one
Registry NumbersSources
Reaxys:21975509Reaxys
Citations