CHEBI:68958 - klymollin H

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ChEBI Name klymollin H
ChEBI ID CHEBI:68958
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 C27H40O11
Net Charge 0
Average Mass 540.59990
Monoisotopic Mass 540.25706
InChI InChI=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
InChIKey PJSHPOHLUBKHTG-ADWFZQLOSA-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=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 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 Number Type Source
22123643 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22004052 PubMed citation Europe PMC
Last Modified
27 November 2013