CHEBI:68953 - klymollin C

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ChEBI Name klymollin C
ChEBI ID CHEBI:68953
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 C26H38O9
Net Charge 0
Average Mass 494.57450
Monoisotopic Mass 494.25158
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
InChIKey IJXBJCLCYUSOPN-YRLDIHFHSA-N
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)
IUPAC Name
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