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CHEBI:69564 - lobophytumin F
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ChEBI Name
lobophytumin F
ChEBI ID
CHEBI:69564
Definition
A diterpenoid isolated from the Hainan soft coral
Lobophytum cristatum
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H32O
Net Charge
0
Average Mass
288.46750
Monoisotopic Mass
288.24532
InChI
InChI=1S/C20H32O/c1-
12(2)
10-
15(21)
11-
14(4)
16-
8-
9-
20(5)
17-
7-
6-
13(3)
18(17)
19(16)
20/h12,14,16-
19H,3,6-
11H2,1-
2,4-
5H3/t14?,16-
,17-
,18+,19-
,20+/m1/s1
InChIKey
MJVREFNGXLSWKW-CIQMHLMDSA-N
SMILES
CC(C)CC(=O)CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C)[C@@H]3[C@@H]12
Metabolite of Species
Details
Lobophytum cristatum
(WORMS:288778)
small frozen pieces of sample were extracted with acetone. See:
PubMed
Roles Classification
Biological Role
(s):
coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
lobophytumin F (
CHEBI:69564
)
has role
coral metabolite (
CHEBI:76498
)
lobophytumin F (
CHEBI:69564
)
is a
carbotricyclic compound (
CHEBI:38032
)
lobophytumin F (
CHEBI:69564
)
is a
diterpenoid (
CHEBI:23849
)
lobophytumin F (
CHEBI:69564
)
is a
ketone (
CHEBI:17087
)
IUPAC Name
2-
methyl-
6-
[(1
R
,3a
S
,3b
R
,6a
S
,6b
R
)-
3a-
methyl-
6-
methylidenedecahydrocyclobuta[1,2-
a
:3,4-
a'
]dicyclopenten-
1-
yl]heptan-
4-
one
Registry Number
Type
Source
21975510
Reaxys Registry Number
Reaxys
Citation
Type
Source
21954851
PubMed citation
Europe PMC
Last Modified
01 October 2014