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:68965 - Icariside E4
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Icariside E4
ChEBI ID
CHEBI:68965
Definition
A natural product found in
Acer saccharum
.
Stars
This entity has been manually annotated by a third party.
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
C26H34O10
Net Charge
0
Average Mass
506.54220
Monoisotopic Mass
506.21520
InChI
InChI=1S/C26H34O10/c1-
13-
21(29)
22(30)
23(31)
26(34-
13)
35-
18-
7-
6-
15(11-
19(18)
32-
2)
24-
17(12-
28)
16-
9-
14(5-
4-
8-
27)
10-
20(33-
3)
25(16)
36-
24/h6-
7,9-
11,13,17,21-
24,26-
31H,4-
5,8,12H2,1-
3H3/t13-
,17+,21-
,22+,23+,24-
,26-
/m0/s1
InChIKey
FYWCDZKQBWSMDD-YGYBHAICSA-N
SMILES
COc1cc(ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H]1Oc2c(OC)cc(CCCO)cc2[C@H]1CO
Metabolite of Species
Details
Acer saccharum
(NCBI:txid4024)
Found in bark
(BTO:0001301)
. The air-dried powder of the bark was extracted by maceration with methanol 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
Icariside E4 (
CHEBI:68965
)
has role
metabolite (
CHEBI:25212
)
Icariside E4 (
CHEBI:68965
)
is a
benzofurans (
CHEBI:35259
)
Synonym
Source
4-
[(2R,3S)-
3-
(Hydroxymethyl)-
5-
(3-
hydroxypropyl)-
7-
methoxy-
2,3-
dihydro-
1-
benzofuran-
2-
yl]-
2-
methoxyphenyl 6-
deoxy-
alpha-
L-
mannopyranoside
ChEBI
Citation
Type
Source
22032697
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:lignan(CHEBI:25036); ISA:glycoside(CHEBI:24400); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:benzofurans(CHEBI:35259); ISA:hexose(CHEBI:18133); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734);