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:69814 - isovitexin 8-
C
-β-glucoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
isovitexin 8-
C
-β-glucoside
ChEBI ID
CHEBI:69814
ChEBI ASCII Name
isovitexin 8-C-beta-glucoside
Definition
A
C
-glycosyl compound that is isovitexin in which the hydrogen at position 8 is replaced by a β-
D
-glucosyl residue.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:75440, CHEBI:9974
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C27H30O15
Net Charge
0
Average Mass
594.51810
Monoisotopic Mass
594.15847
InChI
InChI=1S/C27H30O15/c28-
6-
12-
17(32)
21(36)
23(38)
26(41-
12)
15-
19(34)
14-
10(31)
5-
11(8-
1-
3-
9(30)
4-
2-
8)
40-
25(14)
16(20(15)
35)
27-
24(39)
22(37)
18(33)
13(7-
29)
42-
27/h1-
5,12-
13,17-
18,21-
24,26-
30,32-
39H,6-
7H2/t12-
,13-
,17-
,18-
,21+,22+,23-
,24-
,26+,27+/m1/s1
InChIKey
FIAAVMJLAGNUKW-VQVVXJKKSA-N
SMILES
OC[C@H]
1O[C@H]
([C@H]
(O)
[C@@H]
(O)
[C@@H]
1O)
c1c(O)
c([C@@H]
2O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
2O)
c2oc(cc(=O)
c2c1O)
-
c1ccc(O)
cc1
Metabolite of Species
Details
Urtica circularis
(IPNI:260621-2)
Found in aerial part
(BTO:0001658)
. 80% ethanolic extract of dried, powdered aerial parts See:
PubMed
Passiflora edulis
(NCBI:txid78168)
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
isovitexin 8-
C
-β-glucoside (
CHEBI:69814
)
has functional parent
isovitexin (
CHEBI:18330
)
isovitexin 8-
C
-β-glucoside (
CHEBI:69814
)
has role
metabolite (
CHEBI:25212
)
isovitexin 8-
C
-β-glucoside (
CHEBI:69814
)
is a
C
-glycosyl compound (
CHEBI:20857
)
isovitexin 8-
C
-β-glucoside (
CHEBI:69814
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
5,7-
dihydroxy-
2-
(4-
hydroxyphenyl)-
6,8-
bis[(2
S
,3
R
,4
R
,5
S
,6
R
)-
3,4,5-
trihydroxy-
6-
(hydroxymethyl)tetrahydro-
2
H
-
pyran-
2-
yl]-
4
H
-
chromen-
4-
one
Synonyms
Sources
5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside
KEGG COMPOUND
apigenin-6,8-C-diglucoside
ChEBI
apigenin-6,8-di-C-glycopyranoside
ChEBI
Apigenin-6,8-di-C-glycoside
KEGG COMPOUND
isovitexin 8-
C
-glucoside
ChEBI
Vicenin-2
KEGG COMPOUND
Manual Xrefs
Databases
C00006229
KNApSAcK
C10195
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1338580
Reaxys Registry Number
Reaxys
23666-13-9
CAS Registry Number
KEGG COMPOUND
Last Modified
15 January 2018