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ChEBI
> Main
CHEBI:81161 - beta-Hydroxyacteoside
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ChEBI Ontology
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ChEBI Name
beta-Hydroxyacteoside
ChEBI ID
CHEBI:81161
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C29H36O16
Net Charge
0
Average Mass
640.58650
Monoisotopic Mass
640.20034
InChI
InChI=1S/C29H36O16/c1-
12-
22(37)
23(38)
24(39)
29(42-
12)
45-
27-
25(40)
28(41-
11-
19(35)
14-
4-
6-
16(32)
18(34)
9-
14)
43-
20(10-
30)
26(27)
44-
21(36)
7-
3-
13-
2-
5-
15(31)
17(33)
8-
13/h2-
9,12,19-
20,22-
35,37-
40H,10-
11H2,1H3/b7-
3+/t12-
,19?,20+,22-
,23+,24+,25+,26+,27+,28+,29-
/m0/s1
InChIKey
XDAXWJHQKZRSEY-XHJPSFMXSA-N
SMILES
C[C@@H]
1O[C@@H]
(O[C@@H]
2[C@@H]
(O)
[C@H]
(OCC(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
beta-Hydroxyacteoside (
CHEBI:81161
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Manual Xref
Database
C17528
KEGG COMPOUND
View more database links