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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:18370 - 7-deoxyloganin
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ChEBI Ontology
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ChEBI Name
7-deoxyloganin
ChEBI ID
CHEBI:18370
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12255, CHEBI:4418
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Formula
C17H26O9
Net Charge
0
Average Mass
374.38290
Monoisotopic Mass
374.15768
InChI
InChI=1S/C17H26O9/c1-
7-
3-
4-
8-
9(15(22)
23-
2)
6-
24-
16(11(7)
8)
26-
17-
14(21)
13(20)
12(19)
10(5-
18)
25-
17/h6-
8,10-
14,16-
21H,3-
5H2,1-
2H3/t7-
,8+,10+,11+,12+,13-
,14+,16-
,17-
/m0/s1
InChIKey
KMHXLGLJTQHEIM-OUEWTLASSA-N
SMILES
[H][C@]12CC[C@H](C)[C@@]1([H])[C@@H](OC=C2C(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing
7-deoxyloganin (
CHEBI:18370
)
has functional parent
loganin (
CHEBI:15771
)
7-deoxyloganin (
CHEBI:18370
)
is a
α,β-unsaturated carboxylic ester (
CHEBI:51737
)
7-deoxyloganin (
CHEBI:18370
)
is a
β-
D
-glucoside (
CHEBI:22798
)
7-deoxyloganin (
CHEBI:18370
)
is a
methyl ester (
CHEBI:25248
)
Incoming
gardenoside (
CHEBI:5277
)
has functional parent
7-deoxyloganin (
CHEBI:18370
)
IUPAC Name
methyl (1
S
,4a
S
,7
S
,7a
R
)-
1-
(β-
D
-
glucopyranosyloxy)-
7-
methyl-
1,4a,5,6,7,7a-
hexahydrocyclopenta[
c
]pyran-
4-
carboxylate
Synonyms
Sources
7-Deoxyloganin
KEGG COMPOUND
7-deoxyloganin
UniProt
Deoxyloganin
KEGG COMPOUND
Manual Xrefs
Databases
C00003077
KNApSAcK
C06071
KEGG COMPOUND
View more database links
Registry Number
Type
Source
26660-57-1
CAS Registry Number
KEGG COMPOUND
Last Modified
03 March 2015