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ChEBI
> Main
CHEBI:70133 - Ilimaquinone
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ChEBI Ontology
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ChEBI Name
Ilimaquinone
ChEBI ID
CHEBI:70133
Definition
A natural product found in
Dactylospongia elegans
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H30O4
Net Charge
0
Average Mass
358.47120
Monoisotopic Mass
358.21441
InChI
InChI=1S/C22H30O4/c1-
13-
7-
6-
8-
18-
21(13,3)
10-
9-
14(2)
22(18,4)
12-
15-
19(24)
16(23)
11-
17(26-
5)
20(15)
25/h11,14,18,24H,1,6-
10,12H2,2-
5H3/t14-
,18+,21+,22+/m0/s1
InChIKey
JJWITJNSXCXULM-YVUMSICPSA-N
SMILES
[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O
Metabolite of Species
Details
Dactylospongia elegans
(NCBI:txid1162779)
MeOH extract of freeze-dried sponge, isolated as 1:1 mixture of Ilimaquinone & 5-epi-ilimaquinone See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Ilimaquinone (
CHEBI:70133
)
has role
metabolite (
CHEBI:25212
)
Ilimaquinone (
CHEBI:70133
)
is a
monohydroxy-1,4-benzoquinones (
CHEBI:67273
)
Ilimaquinone (
CHEBI:70133
)
is a
prenylquinone (
CHEBI:26255
)
Synonym
Source
3-
[[(1R,2S,4aS,8aS)-
1,2,4a-
trimethyl-
5-
methylidene-
3,4,6,7,8,8a-
hexahydro-
2H-
naphthalen-
1-
yl]methyl]-
2-
hydroxy-
5-
methoxycyclohexa-
2,5-
diene-
1,4-
dione
ChEBI
Registry Number
Type
Source
71678-03-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21155589
PubMed citation
Europe PMC
Last Modified
03 June 2016
General Comment
2014-10-17
Suggested Classification: ISA:p-quinone(CHEBI:25830); ISA:benzoquinones(CHEBI:22729); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:ether(CHEBI:25698);