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CHEBI:68954 - klymollin D
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ChEBI Name
klymollin D
ChEBI ID
CHEBI:68954
Definition
An eunicellin diterpenoid isolated from the soft coral
Klyxum molle
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H36O7
Net Charge
0
Average Mass
436.53840
Monoisotopic Mass
436.24610
InChI
InChI=1S/C24H36O7/c1-
12(2)
16-
10-
19(29-
14(4)
25)
24(11-
28-
24)
21-
18-
9-
13(3)
17(27)
7-
8-
23(6,31-
15(5)
26)
22(30-
18)
20(16)
21/h12,16-
22,27H,3,7-
11H2,1-
2,4-
6H3/t16-
,17+,18-
,19+,20-
,21-
,22-
,23-
,24+/m1/s1
InChIKey
MRLKNBMAHKIZKS-PWLVGILOSA-N
SMILES
CC(C)[C@H]1C[C@H](OC(C)=O)[C@@]2(CO2)[C@@H]2[C@H]3CC(=C)[C@@H](O)CC[C@@](C)(OC(C)=O)[C@H](O3)[C@H]12
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 D (
CHEBI:68954
)
has role
anti-inflammatory agent (
CHEBI:67079
)
klymollin D (
CHEBI:68954
)
has role
coral metabolite (
CHEBI:76498
)
klymollin D (
CHEBI:68954
)
is a
acetate ester (
CHEBI:47622
)
klymollin D (
CHEBI:68954
)
is a
epoxide (
CHEBI:32955
)
klymollin D (
CHEBI:68954
)
is a
eunicellin diterpenoid (
CHEBI:76257
)
klymollin D (
CHEBI:68954
)
is a
macrocycle (
CHEBI:51026
)
klymollin D (
CHEBI:68954
)
is a
oxacycle (
CHEBI:38104
)
IUPAC Name
rel
-
(1
S
,2
S
,4
R
,4a
R
,5
R
,6
R
,9
S
,12
R
,12a
S
)-
9-
hydroxy-
6-
methyl-
10-
methylidene-
4-
(propan-
2-
yl)dodecahydro-
2
H
-
spiro[5,12-
epoxybenzo[10]annulene-
1,2'-
oxirane]-
2,6-
diyl diacetate
Registry Number
Type
Source
22123639
Reaxys Registry Number
Reaxys
Citation
Type
Source
22004052
PubMed citation
Europe PMC
Last Modified
22 May 2014