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ChEBI
> Main
CHEBI:131779 - isoorientin 2''-
O
-glucoside
Main
ChEBI Ontology
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ChEBI Name
isoorientin 2''-
O
-glucoside
ChEBI ID
CHEBI:131779
ChEBI ASCII Name
isoorientin 2''-O-glucoside
Definition
A tetrahydroxyflavone that consists of isoorientin having a β-glucosyl residue attached at position 2''.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H30O16
Net Charge
0
Average Mass
610.519
Monoisotopic Mass
610.15338
InChI
InChI=1S/C27H30O16/c28-
6-
15-
20(35)
23(38)
26(43-
27-
24(39)
22(37)
19(34)
16(7-
29)
42-
27)
25(41-
15)
18-
12(33)
5-
14-
17(21(18)
36)
11(32)
4-
13(40-
14)
8-
1-
2-
9(30)
10(31)
3-
8/h1-
5,15-
16,19-
20,22-
31,33-
39H,6-
7H2/t15-
,16-
,19-
,20-
,22+,23+,24-
,25+,26-
,27+/m1/s1
InChIKey
QWAZWXOCSOFIPS-FASGCTRLSA-N
SMILES
C1=2C(OC(=CC1=O)
C3=CC(=C(C=C3)
O)
O)
=CC(=C(C2O)
[C@H]
4[C@@H]
([C@H]
([C@@H]
([C@H]
(O4)
CO)
O)
O)
O[C@H]
5[C@@H]
([C@H]
([C@@H]
([C@@H]
(CO)
O5)
O)
O)
O)
O
Metabolite of Species
Details
Dianthus chinensis
(NCBI:txid118431)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Passiflora incarnata
(NCBI:txid159425)
See:
PubMed
Oryza sativa
(NCBI:txid4530)
Found in seed See:
PubMed
Oryza sativa
(NCBI:txid4530)
Found in seed See:
MetaboLights Study
Oryza sativa
(NCBI:txid4530)
Found in leaf
(BTO:0000713)
. 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
isoorientin 2''-
O
-glucoside (
CHEBI:131779
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin 2''-
O
-glucoside (
CHEBI:131779
)
has role
plant metabolite (
CHEBI:76924
)
isoorientin 2''-
O
-glucoside (
CHEBI:131779
)
is a
flavone
C
-glycoside (
CHEBI:83280
)
isoorientin 2''-
O
-glucoside (
CHEBI:131779
)
is a
polyphenol (
CHEBI:26195
)
isoorientin 2''-
O
-glucoside (
CHEBI:131779
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
IUPAC Name
(1
S
)-
1,5-
anhydro-
1-
[2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
1-
benzopyran-
6-
yl]-
2-
O
-
β-
D
-
glucopyranosyl-
D
-
glucitol
Synonyms
Sources
isoorientin 2''-glucopyranoside
ChEBI
isoorientin 2''-glucoside
ChEBI
Isoorientin 2''-O-glucopyranoside
LIPID MAPS
Meloside L
KNApSAcK
Manual Xrefs
Databases
C00006210
KNApSAcK
HMDB0029478
HMDB
LMPK12110497
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
55196-48-0
CAS Registry Number
KNApSAcK
8101267
Reaxys Registry Number
Reaxys
Citations
Types
Sources
2026709
PubMed citation
Europe PMC
23849114
PubMed citation
Europe PMC
26860358
PubMed citation
Europe PMC
7764590
PubMed citation
Europe PMC
IND500678013
Agricola citation
Europe PMC
Last Modified
18 November 2016