Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:145784 - sesaminol 2-
O
-β-
D
-glucoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
sesaminol 2-
O
-β-
D
-glucoside
ChEBI ID
CHEBI:145784
ChEBI ASCII Name
sesaminol 2-O-beta-D-glucoside
Definition
A β-
D
-glucoside that is sesaminol in which the hydroxy group at position 5 is substituted by a β-
D
-glucopyranoside group. A metabolite found in sesame seeds.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C26H28O12
Net Charge
0
Average Mass
532.498
Monoisotopic Mass
532.15808
InChI
InChI=1S/C26H28O12/c27-
6-
20-
21(28)
22(29)
23(30)
26(38-
20)
37-
16-
5-
19-
18(35-
10-
36-
19)
4-
12(16)
25-
14-
8-
31-
24(13(14)
7-
32-
25)
11-
1-
2-
15-
17(3-
11)
34-
9-
33-
15/h1-
5,13-
14,20-
30H,6-
10H2/t13-
,14-
,20+,21+,22-
,23+,24+,25+,26+/m0/s1
InChIKey
HVDZWQPYIXKSCL-LFZZSFSNSA-N
SMILES
C1[C@@]
2([H]
)
[C@@]
(CO[C@@H]
2C=3C=CC4=C(C3)
OCO4)
([H]
)
[C@H]
(O1)
C5=CC6=C(C=C5O[C@H]
7[C@@H]
([C@H]
([C@@H]
([C@H]
(O7)
CO)
O)
O)
O)
OCO6
Metabolite of Species
Details
Sesamum indicum
(NCBI:txid4182)
Found in seed
(BTO:0001226)
. See:
PubMed
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
sesaminol 2-
O
-β-
D
-glucoside (
CHEBI:145784
)
has functional parent
sesaminol (
CHEBI:145778
)
sesaminol 2-
O
-β-
D
-glucoside (
CHEBI:145784
)
has role
plant metabolite (
CHEBI:76924
)
sesaminol 2-
O
-β-
D
-glucoside (
CHEBI:145784
)
is a
β-
D
-glucoside (
CHEBI:22798
)
sesaminol 2-
O
-β-
D
-glucoside (
CHEBI:145784
)
is a
benzodioxoles (
CHEBI:38298
)
sesaminol 2-
O
-β-
D
-glucoside (
CHEBI:145784
)
is a
furofuran (
CHEBI:47790
)
IUPAC Name
6-
[(1
S
,3a
R
,4
S
,6a
R
)-
4-
(1,3-
benzodioxol-
5-
yl)tetrahydro-
1
H
,3
H
-
furo[3,4-
c
]furan-
1-
yl]-
1,3-
benzodioxol-
5-
yl β-
D
-
glucopyranoside
Synonyms
Sources
(+)-sesaminol 2-
O
-β-
D
-glucoside
MetaCyc
sesaminol 2-
O
-β-
D
-glucopyranoside
ChEBI
Manual Xrefs
Databases
CPD-14838
MetaCyc
FDB021108
FooDB
HMDB0041209
HMDB
View more database links
Registry Number
Type
Source
153512-13-1
CAS Registry Number
ChEBI
Citations
Types
Sources
15885833
PubMed citation
Europe PMC
18248594
PubMed citation
Europe PMC
19561332
PubMed citation
Europe PMC
22818971
PubMed citation
Europe PMC
31654577
PubMed citation
Europe PMC
7764592
PubMed citation
Europe PMC
Last Modified
10 January 2020