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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.
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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
(1
S
,2
S
,3
S
,4
R
,4a
R
,5
R
,6
R
,9
S
,10
S
,12
R
,12a
S
)-
9-
(formyloxy)-
10-
hydroxy-
6,10-
dimethyl-
4-
(propan-
2-
yl)dodecahydro-
2
H
-
spiro[5,12-
epoxybenzo[10]annulene-
1,2'-
oxirane]-
2,3,6-
triyl triacetate
Registry Number
Type
Source
22123643
Reaxys Registry Number
Reaxys
Citation
Type
Source
22004052
PubMed citation
Europe PMC
Last Modified
27 November 2013