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CHEBI:76849 - 7-deoxyloganetin
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ChEBI Ontology
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ChEBI Name
7-deoxyloganetin
ChEBI ID
CHEBI:76849
Definition
An iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C11H16O4
Net Charge
0
Average Mass
212.24230
Monoisotopic Mass
212.10486
InChI
InChI=1S/C11H16O4/c1-
6-
3-
4-
7-
8(10(12)
14-
2)
5-
15-
11(13)
9(6)
7/h5-
7,9,11,13H,3-
4H2,1-
2H3/t6-
,7+,9+,11+/m0/s1
InChIKey
GGFAHFSRIITJIJ-NONSRLQASA-N
SMILES
COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)CC[C@H]12
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-deoxyloganetin (
CHEBI:76849
)
has functional parent
7-deoxyloganetic acid (
CHEBI:77027
)
7-deoxyloganetin (
CHEBI:76849
)
has role
plant metabolite (
CHEBI:76924
)
7-deoxyloganetin (
CHEBI:76849
)
is a
cyclopentapyran (
CHEBI:38606
)
7-deoxyloganetin (
CHEBI:76849
)
is a
iridoid monoterpenoid (
CHEBI:50563
)
7-deoxyloganetin (
CHEBI:76849
)
is a
lactol (
CHEBI:38131
)
7-deoxyloganetin (
CHEBI:76849
)
is a
methyl ester (
CHEBI:25248
)
IUPAC Name
methyl (1
S
,4a
S
,7
S
,7a
R
)-
1-
hydroxy-
7-
methyl-
1,4a,5,6,7,7a-
hexahydrocyclopenta[
c
]pyran-
4-
carboxylate
Synonyms
Sources
7-deoxyloganetin
UniProt
methyl 7-deoxyloganetate
ChEBI
Registry Number
Type
Source
1286137
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21799001
PubMed citation
Europe PMC
24104568
PubMed citation
SUBMITTER
Last Modified
03 March 2015