CHEBI:68957 - klymollin G

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ChEBI Name klymollin G
ChEBI ID CHEBI:68957
Definition An eunicellin diterpenoid isolated from the soft coral Klyxum molle.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H70O11
Net Charge 0
Average Mass 750.99860
Monoisotopic Mass 750.492
InChI InChI=1S/C42H70O11/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(46)52-32-23-24-41(8,53-30(6)45)38-35-34(27(2)3)37(49-28(4)43)39(50-29(5)44)42(26-48-42)36(35)31(51-38)25-40(32,7)47/h27,31-32,34-39,47H,9-26H2,1-8H3/t31-,32+,34-,35-,36-,37+,38-,39+,40+,41-,42-/m1/s1
InChIKey CRUQATXTOIHPSF-FCGGQWSASA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]11CO1
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 G (CHEBI:68957) has functional parent hexadecanoic acid (CHEBI:15756)
klymollin G (CHEBI:68957) has role anti-inflammatory agent (CHEBI:67079)
klymollin G (CHEBI:68957) has role coral metabolite (CHEBI:76498)
klymollin G (CHEBI:68957) is a acetate ester (CHEBI:47622)
klymollin G (CHEBI:68957) is a epoxide (CHEBI:32955)
klymollin G (CHEBI:68957) is a eunicellin diterpenoid (CHEBI:76257)
klymollin G (CHEBI:68957) is a macrocycle (CHEBI:51026)
klymollin G (CHEBI:68957) is a oxacycle (CHEBI:38104)
IUPAC Name
rel-(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-2,3,6-tris(acetyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxiran]-9-yl hexadecanoate
Registry Number Type Source
22123648 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22004052 PubMed citation Europe PMC
Last Modified
27 November 2013