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CHEBI:68958 - klymollin H

ChEBI IDCHEBI:68958
ChEBI Nameklymollin H
Stars
DefinitionAn eunicellin diterpenoid isolated from the soft coral Klyxum molle.
Last Modified27 November 2013
DownloadsMolfile
FormulaC27H40O11
Net Charge0
Average Mass540.606
Monoisotopic Mass540.25706
SMILES[H][C@]12O[C@]([H])(C[C@](C)(O)[C@@H](OC=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/C27H40O11/c1-13(2)19-20-21(27(11-34-27)24(36-15(4)30)22(19)35-14(3)29)17-10-25(6,32)18(33-12-28)8-9-26(7,23(20)37-17)38-16(5)31/h12-13,17-24,32H,8-11H2,1-7H3/t17-,18+,19-,20-,21-,22+,23-,24+,25+,26-,27-/m1/s1
InChIKeyPJSHPOHLUBKHTG-ADWFZQLOSA-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 H (CHEBI:68958) has role anti-inflammatory agent (CHEBI:67079)
klymollin H (CHEBI:68958) has role coral metabolite (CHEBI:76498)
klymollin H (CHEBI:68958) is a acetate ester (CHEBI:47622)
klymollin H (CHEBI:68958) is a epoxide (CHEBI:32955)
klymollin H (CHEBI:68958) is a eunicellin diterpenoid (CHEBI:76257)
klymollin H (CHEBI:68958) is a formate ester (CHEBI:52343)
klymollin H (CHEBI:68958) is a macrocycle (CHEBI:51026)
klymollin H (CHEBI:68958) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-9-(formyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxirane]-2,3,6-triyl triacetate
Registry NumbersSources
Reaxys:22123643Reaxys
Citations