CHEBI:68955 - klymollin E

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ChEBI Name klymollin E
ChEBI ID CHEBI:68955
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 C28H42O11
Net Charge 0
Average Mass 554.62650
Monoisotopic Mass 554.27271
InChI InChI=1S/C28H42O11/c1-13(2)20-21-22(28(12-34-28)25(37-16(5)31)23(20)36-15(4)30)18-11-26(7,33)19(35-14(3)29)9-10-27(8,24(21)38-18)39-17(6)32/h13,18-25,33H,9-12H2,1-8H3/t18-,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-/m1/s1
InChIKey TUKIGDZBWGNFBT-SEQDWNMISA-N
SMILES CC(C)[C@@H]1[C@H]2[C@H]3O[C@H](C[C@](C)(O)[C@H](CC[C@@]3(C)OC(C)=O)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 E (CHEBI:68955) has role anti-inflammatory agent (CHEBI:67079)
klymollin E (CHEBI:68955) has role coral metabolite (CHEBI:76498)
klymollin E (CHEBI:68955) is a acetate ester (CHEBI:47622)
klymollin E (CHEBI:68955) is a epoxide (CHEBI:32955)
klymollin E (CHEBI:68955) is a eunicellin diterpenoid (CHEBI:76257)
klymollin E (CHEBI:68955) is a macrocycle (CHEBI:51026)
klymollin E (CHEBI:68955) is a oxacycle (CHEBI:38104)
IUPAC Name
rel-(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxirane]-2,3,6,9-tetrayl tetraacetate
Registry Number Type Source
22123644 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22004052 PubMed citation Europe PMC
Last Modified
27 November 2013