CHEBI:69563 - lobophytumin E

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ChEBI Name lobophytumin E
ChEBI ID CHEBI:69563
Definition A diterpenoid isolated from the Hainan soft coral Lobophytum cristatum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000035950662
Download Molfile XML SDF
Formula C20H30O
Net Charge 0
Average Mass 286.45160
Monoisotopic Mass 286.22967
InChI InChI=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
InChIKey QCUYCSJANBKKLA-CIQMHLMDSA-N
SMILES CC(CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12
Metabolite of Species Details
Lobophytum cristatum (WORMS:288778) small frozen pieces of sample were extracted with acetone. See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21975509 Reaxys Registry Number Reaxys
Citation Type Source
21954851 PubMed citation Europe PMC
Last Modified
01 October 2014