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:5646 - Hellicoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Hellicoside
ChEBI ID
CHEBI:5646
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
C29H36O17
Net Charge
0
Average Mass
656.587
Monoisotopic Mass
656.19525
InChI
InChI=1S/C29H36O17/c30-
9-
19-
22(38)
23(39)
24(40)
29(43-
19)
46-
27-
25(41)
28(42-
11-
18(36)
13-
3-
5-
15(33)
17(35)
8-
13)
44-
20(10-
31)
26(27)
45-
21(37)
6-
2-
12-
1-
4-
14(32)
16(34)
7-
12/h1-
8,18-
20,22-
36,38-
41H,9-
11H2/b6-
2+/t18-
,19-
,20-
,22-
,23+,24-
,25-
,26-
,27-
,28-
,29+/m1/s1
InChIKey
IKASMYQBXBUEQS-AEAUTZEXSA-N
SMILES
OC[C@H]
1O[C@@H]
(O[C@@H]
2[C@@H]
(O)
[C@H]
(OC[C@@H]
(O)
c3ccc(O)
c(O)
c3)
O[C@H]
(CO)
[C@H]
2OC(=O)
\C=C\c2ccc(O)
c(O)
c2)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
1O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Hellicoside (
CHEBI:5646
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Synonym
Source
Hellicoside
KEGG COMPOUND
Manual Xrefs
Databases
C00002750
KNApSAcK
C10466
KEGG COMPOUND
View more database links
Registry Number
Type
Source
132278-04-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014