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CHEBI:67775 - (+)-4-Acetoxymarilzallene
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ChEBI Name
(+)-4-Acetoxymarilzallene
ChEBI ID
CHEBI:67775
Definition
A natural product found in
Laurencia marilzae
.
Stars
This entity has been manually annotated by a third party.
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Formula
C17H22BrClO3
Net Charge
0
Average Mass
389.71200
Monoisotopic Mass
388.04408
InChI
InChI=1S/C17H22BrClO3/c1-
3-
7-
14-
8-
4-
5-
10-
16(19)
17(22-
14)
12-
15(9-
6-
11-
18)
21-
13(2)
20/h3-
5,7,9,11,14-
17H,8,10,12H2,1-
2H3/b5-
4-
,7-
3+/t6?,14-
,15-
,16+,17+/m0/s1
InChIKey
BUAQGGUCIOVTOG-RWVYZSKESA-N
SMILES
C\C=C\[C@H]1C\C=C/C[C@@H](Cl)[C@@H](C[C@@H](OC(C)=O)C=C=CBr)O1
Metabolite of Species
Details
Laurencia marilzae
(NCBI:txid99905)
1.CH2Cl2/MeOH(1:1) extract of fresh alga.2.Bromoallene stereo is 'S' 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
(+)-4-Acetoxymarilzallene (
CHEBI:67775
)
has role
metabolite (
CHEBI:25212
)
(+)-4-Acetoxymarilzallene (
CHEBI:67775
)
is a
allenes (
CHEBI:37602
)
(+)-4-Acetoxymarilzallene (
CHEBI:67775
)
is a
oxacycle (
CHEBI:38104
)
Synonym
Source
(2R,3S)-
5-
Bromo-
1-
{(2R,3R,5Z,8R)-
3-
chloro-
8-
[(1E)-
1-
propen-
1-
yl]-
3,4,7,8-
tetrahydro-
2H-
oxocin-
2-
yl}-
3,4-
pentadien-
2-
yl acetate
ChEBI
Manual Xref
Database
27026675
ChemSpider
View more database links
Citation
Type
Source
21338119
PubMed citation
Europe PMC
Last Modified
16 January 2020
General Comment
2014-10-17
Suggested Classification: ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:organobromine compound(CHEBI:37141); ISA:ether(CHEBI:25698); ISA:organochlorine compound(CHEBI:36683); ISA:carbonyl compound(CHEBI:36586);