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:86635 - buddlenol C
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
buddlenol C
ChEBI ID
CHEBI:86635
Definition
A guaiacyl lignin that is syringaresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in
Arabidopsis thaliana
.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:91199
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
C32H38O12
Net Charge
0
Average Mass
614.638
Monoisotopic Mass
614.23633
InChI
InChI=1S/C32H38O12/c1-
37-
22-
8-
16(6-
7-
21(22)
34)
28(35)
27(13-
33)
44-
32-
25(40-
4)
11-
18(12-
26(32)
41-
5)
31-
20-
15-
42-
30(19(20)
14-
43-
31)
17-
9-
23(38-
2)
29(36)
24(10-
17)
39-
3/h6-
12,19-
20,27-
28,30-
31,33-
36H,13-
15H2,1-
5H3
InChIKey
FITCDKVKQIBVRK-UHFFFAOYSA-N
SMILES
C1OC(C2COC(C12)C3=CC(=C(C(=C3)OC)O)OC)C4=CC(=C(C(=C4)OC)OC(C(C=5C=C(C(=CC5)O)OC)O)CO)OC
Metabolite of Species
Details
Illicium simonsii
(NCBI:txid1202800)
Found in leaf
(BTO:0000713)
. See:
PubMed
Illicium simonsii
(NCBI:txid1202800)
Found in stem
(BTO:0001300)
. See:
PubMed
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 C (
CHEBI:86635
)
has functional parent
guaiacylglycerol (
CHEBI:53663
)
buddlenol C (
CHEBI:86635
)
has functional parent
syringaresinol (
CHEBI:49211
)
buddlenol C (
CHEBI:86635
)
has role
plant metabolite (
CHEBI:76924
)
buddlenol C (
CHEBI:86635
)
is a
dimethoxybenzene (
CHEBI:51681
)
buddlenol C (
CHEBI:86635
)
is a
furofuran (
CHEBI:47790
)
buddlenol C (
CHEBI:86635
)
is a
guaiacyl lignin (
CHEBI:64475
)
buddlenol C (
CHEBI:86635
)
is a
polyphenol (
CHEBI:26195
)
buddlenol C (
CHEBI:86635
)
is a
primary alcohol (
CHEBI:15734
)
buddlenol C (
CHEBI:86635
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
2-
{4-
[4-
(4-
hydroxy-
3,5-
dimethoxyphenyl)tetrahydro-
1
H
,3
H
-
furo[3,4-
c
]furan-
1-
yl]-
2,6-
dimethoxyphenoxy}-
1-
(4-
hydroxy-
3-
methoxyphenyl)propane-
1,3-
diol
Synonyms
Sources
G(8-O-4)S(8-8)S
ChEBI
guaiacylglycerol β-syringaresinol ether
ChEBI
Manual Xref
Database
C00038659
KNApSAcK
View more database links
Registry Numbers
Types
Sources
6554468
Reaxys Registry Number
Reaxys
97465-73-1
CAS Registry Number
KNApSAcK
Citations
Types
Sources
21837972
PubMed citation
Europe PMC
25457500
PubMed citation
Europe PMC
Last Modified
14 July 2016