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CHEBI:68953 - klymollin C

ChEBI IDCHEBI:68953
ChEBI Nameklymollin C
Stars
DefinitionAn eunicellin diterpenoid isolated from the soft coral Klyxum molle.
Last Modified27 November 2013
DownloadsMolfile
FormulaC26H38O9
Net Charge0
Average Mass494.581
Monoisotopic Mass494.25158
SMILES[H][C@]12O[C@]([H])(CC(=C)[C@@H](O)CC[C@@]1(C)OC(C)=O)[C@]1([H])[C@@]2([H])[C@@H](C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]12CO2
InChIInChI=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
InChIKeyIJXBJCLCYUSOPN-YRLDIHFHSA-N
Species of MetaboliteComponentSourceComments
Klyxum molle (WORMS:290254) - PubMed (22004052) Ethyl acetate extract of minced frozen bodies
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:22123640Reaxys
Citations