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ChEBI
> Main
CHEBI:68220 - (+)-(7
S
)-7-
O
-methylsydonic acid
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ChEBI Name
(+)-(7
S
)-7-
O
-methylsydonic acid
ChEBI ID
CHEBI:68220
ChEBI ASCII Name
(+)-(7S)-7-O-methylsydonic acid
Definition
A sesquiterpenoid that is the 7-
O
-methyl derivative of (+)-(7
S
)-sydonic acid. An
Aspergillus
metabolite isolated from the sea fan derived fungus
Aspergillus sydowii
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H24O4
Net Charge
0
Average Mass
280.35940
Monoisotopic Mass
280.16746
InChI
InChI=1S/C16H24O4/c1-
11(2)
6-
5-
9-
16(3,20-
4)
13-
8-
7-
12(15(18)
19)
10-
14(13)
17/h7-
8,10-
11,17H,5-
6,9H2,1-
4H3,(H,18,19)
/t16-
/m0/s1
InChIKey
WVQKVHAEEDYXPI-INIZCTEOSA-N
SMILES
CO[C@@](C)(CCCC(C)C)c1ccc(cc1O)C(O)=O
Metabolite of Species
Details
Aspergillus sydowii
(NCBI:txid75750)
Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. of strain PSU F154 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(+)-(7
S
)-7-
O
-methylsydonic acid (
CHEBI:68220
)
has functional parent
(+)-(7
S
)-sydonic acid (
CHEBI:68223
)
(+)-(7
S
)-7-
O
-methylsydonic acid (
CHEBI:68220
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
(+)-(7
S
)-7-
O
-methylsydonic acid (
CHEBI:68220
)
is a
ether (
CHEBI:25698
)
(+)-(7
S
)-7-
O
-methylsydonic acid (
CHEBI:68220
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
(+)-(7
S
)-7-
O
-methylsydonic acid (
CHEBI:68220
)
is a
sesquiterpenoid (
CHEBI:26658
)
IUPAC Name
3-hydroxy-4-[(2
S
)-2-methoxy-6-methylheptan-2-yl]benzoic acid
Registry Number
Type
Source
21708356
Reaxys Registry Number
Reaxys
Citation
Type
Source
21718031
PubMed citation
Europe PMC
Last Modified
13 January 2014