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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69796 - aucubin
Main
ChEBI Ontology
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ChEBI Name
aucubin
ChEBI ID
CHEBI:69796
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:2919
Supplier Information
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Formulae
C15H22O9
C15H22O9
Net Charge
0
Average Mass
346.32980
Monoisotopic Mass
346.12638
InChI
InChI=1S/C15H22O9/c16-
4-
6-
3-
8(18)
7-
1-
2-
22-
14(10(6)
7)
24-
15-
13(21)
12(20)
11(19)
9(5-
17)
23-
15/h1-
3,7-
21H,4-
5H2/t7-
,8+,9+,10+,11+,12-
,13+,14-
,15-
/m0/s1
InChIKey
RJWJHRPNHPHBRN-FKVJWERZSA-N
SMILES
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)C=C(CO)[C@@]12[H]
Metabolite of Species
Details
Veronica lavaudiana
(NCBI:txid124267)
MeOH extract of plant material 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
aucubin (
CHEBI:69796
)
has role
metabolite (
CHEBI:25212
)
aucubin (
CHEBI:69796
)
is a
organic molecular entity (
CHEBI:50860
)
Incoming
agnuside (
CHEBI:2515
)
has functional parent
aucubin (
CHEBI:69796
)
Synonyms
Sources
(1S,4aR,5S,7aS)-
5-
Hydroxy-
7-
(hydroxymethyl)-
1,4a,5,7a-
tetrahydrocyclopenta[c]pyran-
1-
yl beta-
D-
glucopyranoside
ChEBI
Aucubin
KEGG COMPOUND
Rhinanthin
ChEBI
Manual Xrefs
Databases
C00003073
KNApSAcK
C09771
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
479-98-1
CAS Registry Number
KEGG COMPOUND
479-98-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
21568305
PubMed citation
Europe PMC
Last Modified
01 October 2020