CHEBI:68953 - klymollin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name klymollin C
Definition An eunicellin diterpenoid isolated from the soft coral Klyxum molle.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H38O9
Net Charge 0
Average Mass 494.57450
Monoisotopic Mass 494.252
InChI InChI=1S/C26H38O9/c1-12(2)19-20-21(26(11-31-26)24(33-15(5)28)22(19)32-14(4)27)18-10-13(3)17(30)8-9-25(7,23(20)34-18)35-16(6)29/h12,17-24,30H,3,8-11H2,1-2,4-7H3/t17-,18+,19+,20+,21+,22-,23+,24-,25+,26+/m0/s1
SMILES CC(C)[C@@H]1C2[C@H]3O[C@H](CC(=C)[C@@H](O)CC[C@@]3(C)OC(C)=O)[C@H]2[C@]2(CO2)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Metabolite of Species Details
Klyxum molle (WORMS:290254) Ethyl acetate extract of minced frozen bodies See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing klymollin C (CHEBI:68953) has role anti-inflammatory agent (CHEBI:67079)
klymollin C (CHEBI:68953) has role coral metabolite (CHEBI:76498)
klymollin C (CHEBI:68953) is a acetate ester (CHEBI:47622)
klymollin C (CHEBI:68953) is a epoxide (CHEBI:32955)
klymollin C (CHEBI:68953) is a eunicellin diterpenoid (CHEBI:76257)
klymollin C (CHEBI:68953) is a macrocycle (CHEBI:51026)
klymollin C (CHEBI:68953) is a oxacycle (CHEBI:38104)
rel-(1S,2S,3S,4R,4aR,5R,6R,9S,12R,12aS)-9-hydroxy-6-methyl-10-methylidene-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxirane]-2,3,6-triyl triacetate
Registry Number Type Source
22123640 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22004052 PubMed citation Europe PMC
Last Modified
27 November 2013