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ChEBI
> Main
CHEBI:86632 - buddlenol B
Main
ChEBI Ontology
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ChEBI Name
buddlenol B
ChEBI ID
CHEBI:86632
Definition
A guaiacyl lignin that is found in
Arabidopsis thaliana
.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:91196
Supplier Information
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Formula
C31H36O11
Net Charge
0
Average Mass
584.612
Monoisotopic Mass
584.22576
InChI
InChI=1S/C31H36O11/c1-
37-
23-
12-
18(7-
8-
22(23)
35)
28(36)
27(16-
34)
41-
31-
25(39-
3)
13-
19(14-
26(31)
40-
4)
29-
21(15-
33)
20-
10-
17(6-
5-
9-
32)
11-
24(38-
2)
30(20)
42-
29/h5-
8,10-
14,21,27-
29,32-
36H,9,15-
16H2,1-
4H3/b6-
5+
InChIKey
LCXGTSCVCJANHX-AATRIKPKSA-N
SMILES
C1(=CC(=C(C(=C1)OC)OC(C(C=2C=CC(=C(C2)OC)O)O)CO)OC)C3C(C4=C(O3)C(=CC(=C4)/C=C/CO)OC)CO
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
MetaboLights Study
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. 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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
guaiacyl lignin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
buddlenol B (
CHEBI:86632
)
has functional parent
coniferol (
CHEBI:17745
)
buddlenol B (
CHEBI:86632
)
has functional parent
guaiacylglycerol (
CHEBI:53663
)
buddlenol B (
CHEBI:86632
)
has role
plant metabolite (
CHEBI:76924
)
buddlenol B (
CHEBI:86632
)
is a
1-benzofurans (
CHEBI:38830
)
buddlenol B (
CHEBI:86632
)
is a
dimethoxybenzene (
CHEBI:51681
)
buddlenol B (
CHEBI:86632
)
is a
guaiacyl lignin (
CHEBI:64475
)
buddlenol B (
CHEBI:86632
)
is a
phenols (
CHEBI:33853
)
buddlenol B (
CHEBI:86632
)
is a
primary alcohol (
CHEBI:15734
)
buddlenol B (
CHEBI:86632
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
1-
(4-
hydroxy-
3-
methoxyphenyl)-
2-
(4-
{3-
(hydroxymethyl)-
5-
[(1
E
)-
3-
hydroxyprop-
1-
en-
1-
yl]-
7-
methoxy-
2,3-
dihydro-
1-
benzofuran-
2-
yl}-
2,6-
dimethoxyphenoxy)propane-
1,3-
diol
Synonym
Source
G(8-O-4)S(8-5)G
ChEBI
Registry Number
Type
Source
6554135
Reaxys Registry Number
Reaxys
Citation
Type
Source
25457500
PubMed citation
Europe PMC
Last Modified
14 July 2016